(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide

C19H23N3O — CID 120634235

IUPAC(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccncc2)CCN1
InChIInChI=1S/C19H23N3O/c1-14-13-17(9-12-21-14)19(23)22-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,14,17-18,21H,9,12-13H2,1H3,(H,22,23)/t14-,17-,18?/m0/s1
InChIKeyGPXUSYUJLYLMTB-LNJPMGEZSA-N
MW309.41 g/mol
LogP2.68
Rot. Bonds4

About (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 120634235) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
PubChem CID120634235
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccncc2)CCN1
InChIInChI=1S/C19H23N3O/c1-14-13-17(9-12-21-14)19(23)22-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,14,17-18,21H,9,12-13H2,1H3,(H,22,23)/t14-,17-,18?/m0/s1
InChIKeyGPXUSYUJLYLMTB-LNJPMGEZSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120638054
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide (CID 120634235) is (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccncc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GPXUSYUJLYLMTB-LNJPMGEZSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-13-17(9-12-21-14)19(23)22-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,14,17-18,21H,9,12-13H2,1H3,(H,22,23)/t14-,17-,18?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120634235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).