(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide

C17H21F3N2O2 — CID 100656643

IUPAC(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,22-15(24)12-5-8-14(23)21-10-12)9-11-3-6-13(7-4-11)17(18,19)20/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyQWDSQKKZDZMHAH-GFCCVEGCSA-N
MW342.36 g/mol
LogP2.67
Rot. Bonds4

About (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide

(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 100656643) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID100656643
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,22-15(24)12-5-8-14(23)21-10-12)9-11-3-6-13(7-4-11)17(18,19)20/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyQWDSQKKZDZMHAH-GFCCVEGCSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83191699
N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
CID 104857784
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
CID 81486889
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193717
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide (CID 100656643) is (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide is CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)NC1.
What is the InChIKey of (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QWDSQKKZDZMHAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-16(2,22-15(24)12-5-8-14(23)21-10-12)9-11-3-6-13(7-4-11)17(18,19)20/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 100656643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).