1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide

C20H24ClN5O2 — CID 26361027

IUPAC1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(C2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1
InChIInChI=1S/C20H24ClN5O2/c21-15-5-3-4-14(12-15)20(28)25-10-8-17(9-11-25)26-13-18(23-24-26)19(27)22-16-6-1-2-7-16/h3-5,12-13,16-17H,1-2,6-11H2,(H,22,27)
InChIKeyUYYNMZVKIJDWLG-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide

1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide (PubChem CID 26361027) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
PubChem CID26361027
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(C2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1
InChIInChI=1S/C20H24ClN5O2/c21-15-5-3-4-14(12-15)20(28)25-10-8-17(9-11-25)26-13-18(23-24-26)19(27)22-16-6-1-2-7-16/h3-5,12-13,16-17H,1-2,6-11H2,(H,22,27)
InChIKeyUYYNMZVKIJDWLG-UHFFFAOYSA-N
XLogP3.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N-cyclopropyl-1-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56708665
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide?
The IUPAC name of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide (CID 26361027) is 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide?
The canonical SMILES for 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide is O=C(NC1CCCC1)c1cn(C2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1.
What is the InChIKey of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide?
The InChIKey is UYYNMZVKIJDWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c21-15-5-3-4-14(12-15)20(28)25-10-8-17(9-11-25)26-13-18(23-24-26)19(27)22-16-6-1-2-7-16/h3-5,12-13,16-17H,1-2,6-11H2,(H,22,27).
What are the key properties of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide?
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide is sourced from PubChem (CID 26361027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).