(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide

C17H24N2O — CID 120619878

IUPAC(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)C2CC2)CCN1
InChIInChI=1S/C17H24N2O/c1-13-11-15(9-10-18-13)17(20)19(16-7-8-16)12-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15-/m0/s1
InChIKeyPFUFLXQPOWMSFW-ZFWWWQNUSA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds4

About (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide

(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide (PubChem CID 120619878) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
PubChem CID120619878
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)C2CC2)CCN1
InChIInChI=1S/C17H24N2O/c1-13-11-15(9-10-18-13)17(20)19(16-7-8-16)12-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15-/m0/s1
InChIKeyPFUFLXQPOWMSFW-ZFWWWQNUSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 120639685
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
N-butyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 106739366
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide (CID 120619878) is (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)C2CC2)CCN1.
What is the InChIKey of (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide?
The InChIKey is PFUFLXQPOWMSFW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-11-15(9-10-18-13)17(20)19(16-7-8-16)12-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120619878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).