N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C15H23N5O — CID 106175162

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H23N5O/c21-15(17-10-5-12-3-1-2-4-12)14-11-20(19-18-14)13-6-8-16-9-7-13/h3,11,13,16H,1-2,4-10H2,(H,17,21)
InChIKeyKPBAJGUCPKYHJK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 106175162) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID106175162
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H23N5O/c21-15(17-10-5-12-3-1-2-4-12)14-11-20(19-18-14)13-6-8-16-9-7-13/h3,11,13,16H,1-2,4-10H2,(H,17,21)
InChIKeyKPBAJGUCPKYHJK-UHFFFAOYSA-N
XLogP1.43
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 106175162) is N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCC1=CCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KPBAJGUCPKYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c21-15(17-10-5-12-3-1-2-4-12)14-11-20(19-18-14)13-6-8-16-9-7-13/h3,11,13,16H,1-2,4-10H2,(H,17,21).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 106175162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).