1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H19F3N2O2 — CID 45240538

IUPAC1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)8-17-12(20)9-5-6-11(19)18(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,20)
InChIKeyZHOZJXGWUNPOAP-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 45240538) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID45240538
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)8-17-12(20)9-5-6-11(19)18(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,20)
InChIKeyZHOZJXGWUNPOAP-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524
1-cyclopentyl-6-oxo-N-[2-(2-oxo-1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 45190057
N-methyl-N-(propan-2-yl)piperidine-3-carboxamide
CID 18073102
1'-(cyclopropylcarbonyl)-N-(2,2,2-trifluoroethyl)-1,4'-bipiperidine-3-carboxamide
CID 45203001
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
(3S)-1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086222
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 24701618
(3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 28197261
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595673
(3S)-4-methyl-N-(3-methylbutyl)-3-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 57003791
2,2-difluoro-4-methyl-N-piperidin-4-ylpentanamide
CID 57700503
1-(4-Aminopiperidin-1-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700818

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 45240538) is 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZHOZJXGWUNPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c14-13(15,16)8-17-12(20)9-5-6-11(19)18(7-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,20).
What are the key properties of 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45240538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).