N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H26ClN5O — CID 119672522

IUPACN-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5O.ClH/c21-15(17-10-12-4-2-1-3-5-12)14-11-20(19-18-14)13-6-8-16-9-7-13;/h11-13,16H,1-10H2,(H,17,21);1H
InChIKeyFUSOMTWOILIFAM-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.93
Rot. Bonds4

About N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119672522) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119672522
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC NameN-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5O.ClH/c21-15(17-10-12-4-2-1-3-5-12)14-11-20(19-18-14)13-6-8-16-9-7-13;/h11-13,16H,1-10H2,(H,17,21);1H
InChIKeyFUSOMTWOILIFAM-UHFFFAOYSA-N
XLogP1.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119672522) is N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FUSOMTWOILIFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.ClH/c21-15(17-10-12-4-2-1-3-5-12)14-11-20(19-18-14)13-6-8-16-9-7-13;/h11-13,16H,1-10H2,(H,17,21);1H.
What are the key properties of N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119672522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).