(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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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).