2-Piperidinecarboxylic acid, 1-[[2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-, (2S)-

C₂₉H₃₃NO₅CAS 1675201-83-8475.59 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₂₉H₃₃NO₅
Molar mass: 475.59 g/mol
Exact mass: 475.2359 Da
logP: 5.70Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1675201-83-8

SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCC[C@H]4C(=O)O)OC

InChIKey

ZBOYJODMIAUJHH-SANMLTNESA-N

InChI

InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1

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Names and synonyms

1 names

Bms-1

Work with 2-Piperidinecarboxylic acid, 1-[[2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-, (2S)-

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

N-Benzyl-L-proline31795-93-441 % similar 1-Phenylpiperidine-2-carboxylic acid743422-75-536 % similar Pd-L1 inhibitor 11675203-84-536 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-636 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-836 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-236 % similar (3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid1316755-16-435 % similar D-Fmoc-pipecolic acid101555-63-934 % similar

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

Elsewhere

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