(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H23ClFN3O2 — CID 120637273

IUPAC(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CCN1.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-11-15(8-9-21-13)18(24)22-17-3-2-10-23(19(17)25)12-14-4-6-16(20)7-5-14;/h2-7,10,13,15,21H,8-9,11-12H2,1H3,(H,22,24);1H/t13-,15-;/m0./s1
InChIKeyZSEWTIRURNZQDJ-SLHAJLBXSA-N
MW379.86 g/mol
LogP2.78
Rot. Bonds4

About (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120637273) has the molecular formula C19H23ClFN3O2 and a molecular weight of 379.86 g/mol. Its IUPAC name is (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120637273
Molecular FormulaC19H23ClFN3O2
Molecular Weight379.86 g/mol
Exact Mass379.15
IUPAC Name(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CCN1.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-11-15(8-9-21-13)18(24)22-17-3-2-10-23(19(17)25)12-14-4-6-16(20)7-5-14;/h2-7,10,13,15,21H,8-9,11-12H2,1H3,(H,22,24);1H/t13-,15-;/m0./s1
InChIKeyZSEWTIRURNZQDJ-SLHAJLBXSA-N
XLogP2.78
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119811093
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811076
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
CID 119811051
(2S,4S)-N-(5-fluoro-2-propan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120630411
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 71921798

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120637273) is (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZSEWTIRURNZQDJ-SLHAJLBXSA-N. The full InChI is InChI=1S/C19H22FN3O2.ClH/c1-13-11-15(8-9-21-13)18(24)22-17-3-2-10-23(19(17)25)12-14-4-6-16(20)7-5-14;/h2-7,10,13,15,21H,8-9,11-12H2,1H3,(H,22,24);1H/t13-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).