1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C14H15F3N2O2 — CID 2366527

IUPAC1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-10(2-4-11)13(21)19-7-5-9(6-8-19)12(18)20/h1-4,9H,5-8H2,(H2,18,20)
InChIKeyGQYPXJDHNAHQGN-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 2366527) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID2366527
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-10(2-4-11)13(21)19-7-5-9(6-8-19)12(18)20/h1-4,9H,5-8H2,(H2,18,20)
InChIKeyGQYPXJDHNAHQGN-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amylase
CID 71475145
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N,N-Diethyl-p-toluamide
CID 75946
1-Benzoylpiperazine
CID 762654
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-(2-Methylpropyl)benzamide
CID 95140
N-4-Piperidylbenzamide
CID 118120
N-Benzoyl-4-piperidone
CID 90583
N,N-Dimethyl-p-trifluorobenzamide
CID 141240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 2366527) is 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is GQYPXJDHNAHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-10(2-4-11)13(21)19-7-5-9(6-8-19)12(18)20/h1-4,9H,5-8H2,(H2,18,20).
What are the key properties of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2366527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).