4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide

C20H26FN5O2 — CID 121115073

IUPAC4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C20H26FN5O2/c1-24-20(28)26(15-6-2-3-7-15)18(23-24)14-10-12-25(13-11-14)19(27)22-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,22,27)
InChIKeyPSRCNANLDGVBHL-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.25
Rot. Bonds3

About 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide

4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 121115073) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID121115073
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C20H26FN5O2/c1-24-20(28)26(15-6-2-3-7-15)18(23-24)14-10-12-25(13-11-14)19(27)22-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,22,27)
InChIKeyPSRCNANLDGVBHL-UHFFFAOYSA-N
XLogP3.25
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
4-cyclopentyl-5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121114929
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114820
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115010
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 121115073) is 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide is Cn1nc(C2CCN(C(=O)Nc3ccccc3F)CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is PSRCNANLDGVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-24-20(28)26(15-6-2-3-7-15)18(23-24)14-10-12-25(13-11-14)19(27)22-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,22,27).
What are the key properties of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121115073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).