(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide

C19H19FN2O2 — CID 165061569

IUPAC(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1C(=O)NCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-4-2-3-5-16(12)22-19(24)17-15(10-11-21-18(17)23)13-6-8-14(20)9-7-13/h2-9,15,17H,10-11H2,1H3,(H,21,23)(H,22,24)/t15-,17-/m1/s1
InChIKeyRHIKTBRGSXLYQV-NVXWUHKLSA-N
MW326.37 g/mol
LogP2.99
Rot. Bonds3

About (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide

(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 165061569) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID165061569
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1C(=O)NCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-4-2-3-5-16(12)22-19(24)17-15(10-11-21-18(17)23)13-6-8-14(20)9-7-13/h2-9,15,17H,10-11H2,1H3,(H,21,23)(H,22,24)/t15-,17-/m1/s1
InChIKeyRHIKTBRGSXLYQV-NVXWUHKLSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 142445131
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;(3R)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 157240963
(4S,5R)-4-(4-fluorophenyl)-6-methylidene-N-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2263309
(3R,4S)-4-(4-chloro-3-methylphenyl)-N-(2,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411721
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
(4R)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6970012
(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6970013
(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
CID 155163703
(4S)-4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1038174
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide (CID 165061569) is (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide is Cc1ccccc1NC(=O)[C@H]1C(=O)NCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is RHIKTBRGSXLYQV-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-4-2-3-5-16(12)22-19(24)17-15(10-11-21-18(17)23)13-6-8-14(20)9-7-13/h2-9,15,17H,10-11H2,1H3,(H,21,23)(H,22,24)/t15-,17-/m1/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide?
(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 165061569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).