(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide

C17H21F3N2O2 — CID 99834444

IUPAC(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,12-3-5-13(6-4-12)17(18,19)20)10-22-15(24)11-7-8-21-14(23)9-11/h3-6,11H,7-10H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyKKTYJYPXNGZMPW-NSHDSACASA-N
MW342.36 g/mol
LogP2.63
Rot. Bonds4

About (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide

(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide (PubChem CID 99834444) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
PubChem CID99834444
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,12-3-5-13(6-4-12)17(18,19)20)10-22-15(24)11-7-8-21-14(23)9-11/h3-6,11H,7-10H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyKKTYJYPXNGZMPW-NSHDSACASA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide (CID 99834444) is (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide is CC(C)(CNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is KKTYJYPXNGZMPW-NSHDSACASA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-16(2,12-3-5-13(6-4-12)17(18,19)20)10-22-15(24)11-7-8-21-14(23)9-11/h3-6,11H,7-10H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1.
What are the key properties of (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide?
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 99834444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).