(5S)-1,5-Dimethylpiperazin-2-one

C₆H₁₂N₂OCAS 1068149-94-9128.17 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₆H₁₂N₂O
Molar mass: 128.17 g/mol
Exact mass: 128.0950 Da
logP: -0.56Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1068149-94-9

SMILES

C[C@H]1CN(C(=O)CN1)C

InChIKey

TUXCFTFFNGQODI-YFKPBYRVSA-N

InChI

InChI=1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3/t5-/m0/s1

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Names and synonyms

1 names

(S)-1,5-Dimethylpiperazin-2-one

Work with (5S)-1,5-Dimethylpiperazin-2-one

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-Methyl-2-pyrrolidone872-50-439 % similar Sarcosine anhydride5076-82-438 % similar 1-Methyl-4-carboxy-2-pyrrolidone42346-68-938 % similar N-Methylcaprolactam2556-73-235 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-932 % similar Dmpu7226-23-531 % similar

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

Same formula

N-(3S)-3-Pyrrolidinylacetamide114636-31-6 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 3,3-Dimethyl-2-piperazinone22476-74-0 4-Piperidinecarboxamide39546-32-2 3-Piperidinecarboxamide4138-26-5 3-Aminoazepan-2-one671-42-1

Elsewhere

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