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

C25H31N5O2 — CID 121115060

IUPAC4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N5O2/c1-28-25(32)30(21-10-3-4-11-21)23(27-28)19-13-15-29(16-14-19)24(31)26-17-20-9-6-8-18-7-2-5-12-22(18)20/h2,5-9,12,19,21H,3-4,10-11,13-17H2,1H3,(H,26,31)
InChIKeyZKAVZLNELFYLKJ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.94
Rot. Bonds4

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

4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 121115060) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
PubChem CID121115060
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
SMILESCn1nc(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N5O2/c1-28-25(32)30(21-10-3-4-11-21)23(27-28)19-13-15-29(16-14-19)24(31)26-17-20-9-6-8-18-7-2-5-12-22(18)20/h2,5-9,12,19,21H,3-4,10-11,13-17H2,1H3,(H,26,31)
InChIKeyZKAVZLNELFYLKJ-UHFFFAOYSA-N
XLogP3.94
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115629
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 121115073
2-methyl-5-[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540453
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
3-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)azepane-1-carboxamide
CID 121146736
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114507
4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
4-cyclopropyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540707
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
ethyl 4-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutanoate
CID 121114843

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide (CID 121115060) is 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide is Cn1nc(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is ZKAVZLNELFYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28-25(32)30(21-10-3-4-11-21)23(27-28)19-13-15-29(16-14-19)24(31)26-17-20-9-6-8-18-7-2-5-12-22(18)20/h2,5-9,12,19,21H,3-4,10-11,13-17H2,1H3,(H,26,31).
What are the key properties of 4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.94, 4 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-(naphthalen-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121115060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).