(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

C19H20FN3O2 — CID 97457679

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O2/c1-12-9-10-21-16(11-12)22-19(25)15-7-8-17(24)23(2)18(15)13-3-5-14(20)6-4-13/h3-6,9-11,15,18H,7-8H2,1-2H3,(H,21,22,25)/t15-,18+/m0/s1
InChIKeyPMZSXBRPGJOXLZ-MAUKXSAKSA-N
MW341.39 g/mol
LogP3.08
Rot. Bonds3

About (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (PubChem CID 97457679) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
PubChem CID97457679
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O2/c1-12-9-10-21-16(11-12)22-19(25)15-7-8-17(24)23(2)18(15)13-3-5-14(20)6-4-13/h3-6,9-11,15,18H,7-8H2,1-2H3,(H,21,22,25)/t15-,18+/m0/s1
InChIKeyPMZSXBRPGJOXLZ-MAUKXSAKSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662
2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 75538262
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 110279403

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (CID 97457679) is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is Cc1ccnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PMZSXBRPGJOXLZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-9-10-21-16(11-12)22-19(25)15-7-8-17(24)23(2)18(15)13-3-5-14(20)6-4-13/h3-6,9-11,15,18H,7-8H2,1-2H3,(H,21,22,25)/t15-,18+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97457679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).