(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide

C17H24N2O — CID 94384032

IUPAC(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C17H24N2O/c1-13-4-6-14(7-5-13)11-15-3-2-10-19(12-15)17(20)18-16-8-9-16/h4-7,15-16H,2-3,8-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZBBMVBAGNZDTEE-HNNXBMFYSA-N
MW272.39 g/mol
LogP3.12
Rot. Bonds3

About (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide

(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 94384032) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID94384032
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C17H24N2O/c1-13-4-6-14(7-5-13)11-15-3-2-10-19(12-15)17(20)18-16-8-9-16/h4-7,15-16H,2-3,8-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZBBMVBAGNZDTEE-HNNXBMFYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 52805498
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 49409732
1,3-benzodioxol-5-yl-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
CID 97005752
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide (CID 94384032) is (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide is Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1.
What is the InChIKey of (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ZBBMVBAGNZDTEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-6-14(7-5-13)11-15-3-2-10-19(12-15)17(20)18-16-8-9-16/h4-7,15-16H,2-3,8-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 94384032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).