N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C18H24N6O — CID 91903863

IUPACN-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H24N6O/c25-18(20-14-5-1-2-6-14)24-12-4-3-7-15(24)17-21-16(22-23-17)13-8-10-19-11-9-13/h8-11,14-15H,1-7,12H2,(H,20,25)(H,21,22,23)
InChIKeyCBQVIXKGVOMXSS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.05
Rot. Bonds3

About N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 91903863) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID91903863
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H24N6O/c25-18(20-14-5-1-2-6-14)24-12-4-3-7-15(24)17-21-16(22-23-17)13-8-10-19-11-9-13/h8-11,14-15H,1-7,12H2,(H,20,25)(H,21,22,23)
InChIKeyCBQVIXKGVOMXSS-UHFFFAOYSA-N
XLogP3.05
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 51492718
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
2-phenoxy-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 68687362
(2S)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 91904920
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97252833
(2-methoxy-3-pyridinyl)-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 97063239
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
(2R)-N-(2-morpholin-4-ylethyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97253672
N-cyclohexyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4532643
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111158

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 91903863) is N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CBQVIXKGVOMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(20-14-5-1-2-6-14)24-12-4-3-7-15(24)17-21-16(22-23-17)13-8-10-19-11-9-13/h8-11,14-15H,1-7,12H2,(H,20,25)(H,21,22,23).
What are the key properties of N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91903863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).