N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C19H25N5O — CID 87052258

IUPACN-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nncn1-c1ccccc1
InChIInChI=1S/C19H25N5O/c25-19(21-15-8-4-5-9-15)23-13-7-6-12-17(23)18-22-20-14-24(18)16-10-2-1-3-11-16/h1-3,10-11,14-15,17H,4-9,12-13H2,(H,21,25)
InChIKeyVBNMJSPZNQWWCV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.45
Rot. Bonds3

About N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 87052258) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID87052258
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nncn1-c1ccccc1
InChIInChI=1S/C19H25N5O/c25-19(21-15-8-4-5-9-15)23-13-7-6-12-17(23)18-22-20-14-24(18)16-10-2-1-3-11-16/h1-3,10-11,14-15,17H,4-9,12-13H2,(H,21,25)
InChIKeyVBNMJSPZNQWWCV-UHFFFAOYSA-N
XLogP3.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,3-diphenyl-urea
CID 44455144
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-propyl-urea
CID 44455177
3-cyclopentyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455180
3-cyclohexyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455223
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
CID 138674601
3-isopropyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455143
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(4-fluorocyclohexyl)urea
CID 156017541
1-Benzyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149620060
1-Phenyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149648210
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 87052258) is N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCCC1c1nncn1-c1ccccc1.
What is the InChIKey of N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VBNMJSPZNQWWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(21-15-8-4-5-9-15)23-13-7-6-12-17(23)18-22-20-14-24(18)16-10-2-1-3-11-16/h1-3,10-11,14-15,17H,4-9,12-13H2,(H,21,25).
What are the key properties of N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87052258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).