chempirical

1-[2-[[4-[[4-(Aminocarbonyl)-1-piperidinyl]methyl]benzoyl]methylamino]ethyl]-4-piperidinyl N-[1,1′-biphenyl]-2-ylcarbamate

C35H43N5O4CAS 864750-70-9597.76 g/mol

Open in Covalent MOL file
NNOONHONH2NO
AmideTertiary amine

Properties

Molecular formula
C35H43N5O4
Molar mass
597.76 g/mol
Exact mass
597.3315 Da
logP
5.90Crippen estimate
Polar surface area
112.7 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
10

Identifiers

CAS number
864750-70-9
SMILES
CN(CCN1CCC(OC(O)=Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(=N)O)CC2)cc1
InChIKey
FYDWDCIFZSGNBU-UHFFFAOYSA-N
InChI
InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)

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Names and synonyms

5 names
  • Carbamic acid, N-[1,1′-biphenyl]-2-yl-, 1-[2-[[4-[[4-(aminocarbonyl)-1-piperidinyl]methyl]benzoyl]methylamino]ethyl]-4-piperidinyl ester
  • Carbamic acid, [1,1′-biphenyl]-2-yl-, 1-[2-[[4-[[4-(aminocarbonyl)-1-piperidinyl]methyl]benzoyl]methylamino]ethyl]-4-piperidinyl ester
  • Revefenacin
  • TD 4208
  • 1-(2-(4-((4-Carbamoylpiperidin-1-yl)methyl)-N-methylbenzamido)ethyl)piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate

Work with 1-[2-[[4-[[4-(Aminocarbonyl)-1-piperidinyl]methyl]benzoyl]methylamino]ethyl]-4-piperidinyl N-[1,1′-biphenyl]-2-ylcarbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Biphenyl-2-ylcarbamic acid piperidin-4-yl ester171722-92-242 % similar 1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-836 % similar Methyl 1-benzylpiperidine-4-carboxylate10315-06-735 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-834 % similar 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-730 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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