(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide

C20H25N3O — CID 120638054

IUPAC(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H25N3O/c1-14-13-19(9-12-22-14)20(24)23-15(2)16-3-5-17(6-4-16)18-7-10-21-11-8-18/h3-8,10-11,14-15,19,22H,9,12-13H2,1-2H3,(H,23,24)/t14-,15?,19-/m0/s1
InChIKeyXTMOALLWFVWMPM-OCGXIWQUSA-N
MW323.44 g/mol
LogP3.31
Rot. Bonds4

About (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 120638054) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID120638054
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H25N3O/c1-14-13-19(9-12-22-14)20(24)23-15(2)16-3-5-17(6-4-16)18-7-10-21-11-8-18/h3-8,10-11,14-15,19,22H,9,12-13H2,1-2H3,(H,23,24)/t14-,15?,19-/m0/s1
InChIKeyXTMOALLWFVWMPM-OCGXIWQUSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide (CID 120638054) is (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XTMOALLWFVWMPM-OCGXIWQUSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-13-19(9-12-22-14)20(24)23-15(2)16-3-5-17(6-4-16)18-7-10-21-11-8-18/h3-8,10-11,14-15,19,22H,9,12-13H2,1-2H3,(H,23,24)/t14-,15?,19-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.31, 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-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120638054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).