1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one

C15H21F3N4O — CID 131952617

IUPAC1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCc1nc(C2CCC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O/c1-10-19-14(22(20-10)9-15(16,17)18)11-6-7-13(23)21(8-11)12-4-2-3-5-12/h11-12H,2-9H2,1H3
InChIKeyLVKFHENMIPVGRO-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one

1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one (PubChem CID 131952617) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
PubChem CID131952617
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCc1nc(C2CCC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O/c1-10-19-14(22(20-10)9-15(16,17)18)11-6-7-13(23)21(8-11)12-4-2-3-5-12/h11-12H,2-9H2,1H3
InChIKeyLVKFHENMIPVGRO-UHFFFAOYSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53621133
(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 97436882
2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97445254
(5S)-1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 129625577
3,3,3-Trifluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45819245
2,2,2-Trifluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 63374907
N,N-dimethyl-1-{4-methyl-5-[1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methanamine
CID 70710704
3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(3,3,3-trifluoropropanoyl)piperidine
CID 70712377
N,N-dimethyl-1-{4-methyl-5-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methanamine
CID 70760520
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 72123595
1-{2-[3-(cyclopropylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidin-2-one
CID 72850499
6-[3-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 72859701

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one (CID 131952617) is 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one is Cc1nc(C2CCC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1.
What is the InChIKey of 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The InChIKey is LVKFHENMIPVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-10-19-14(22(20-10)9-15(16,17)18)11-6-7-13(23)21(8-11)12-4-2-3-5-12/h11-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one has a molecular weight of 330.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one is sourced from PubChem (CID 131952617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).