2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

C14H22N4O — CID 121151131

IUPAC2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C14H22N4O/c19-14(11-12-3-1-2-4-12)17-8-5-13(6-9-17)18-10-7-15-16-18/h7,10,12-13H,1-6,8-9,11H2
InChIKeySHNQIAIPCXJBKH-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.02
Rot. Bonds3

About 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 121151131) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
PubChem CID121151131
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C14H22N4O/c19-14(11-12-3-1-2-4-12)17-8-5-13(6-9-17)18-10-7-15-16-18/h7,10,12-13H,1-6,8-9,11H2
InChIKeySHNQIAIPCXJBKH-UHFFFAOYSA-N
XLogP2.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151174
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
[4-(triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 84595139
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 86793603
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (CID 121151131) is 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is SHNQIAIPCXJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(11-12-3-1-2-4-12)17-8-5-13(6-9-17)18-10-7-15-16-18/h7,10,12-13H,1-6,8-9,11H2.
What are the key properties of 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121151131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).