N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H27N5O — CID 119725715

IUPACN-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H27N5O/c22-16(18-11-6-13-4-2-1-3-5-13)15-12-21(20-19-15)14-7-9-17-10-8-14/h12-14,17H,1-11H2,(H,18,22)
InChIKeyNFSGKEUSUXYGSD-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.90
Rot. Bonds5

About N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119725715) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119725715
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H27N5O/c22-16(18-11-6-13-4-2-1-3-5-13)15-12-21(20-19-15)14-7-9-17-10-8-14/h12-14,17H,1-11H2,(H,18,22)
InChIKeyNFSGKEUSUXYGSD-UHFFFAOYSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119725715) is N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCC1CCCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NFSGKEUSUXYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(18-11-6-13-4-2-1-3-5-13)15-12-21(20-19-15)14-7-9-17-10-8-14/h12-14,17H,1-11H2,(H,18,22).
What are the key properties of N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119725715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).