N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C17H21F3N2O2 — CID 17440941

IUPACN-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O2/c1-11(2)21-15(23)12-7-9-22(10-8-12)16(24)13-3-5-14(6-4-13)17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyAVGWZPGAERBZQD-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.08
Rot. Bonds3

About N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 17440941) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID17440941
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O2/c1-11(2)21-15(23)12-7-9-22(10-8-12)16(24)13-3-5-14(6-4-13)17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyAVGWZPGAERBZQD-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55672910
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 17440941) is N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is AVGWZPGAERBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(2)21-15(23)12-7-9-22(10-8-12)16(24)13-3-5-14(6-4-13)17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 17440941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).