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

C13H22ClN5O — CID 119724139

IUPACN-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H21N5O.ClH/c19-13(15-8-10-2-1-3-10)12-9-18(17-16-12)11-4-6-14-7-5-11;/h9-11,14H,1-8H2,(H,15,19);1H
InChIKeyASWIOEGOIWGPDC-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.15
Rot. Bonds4

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

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119724139) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119724139
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC NameN-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H21N5O.ClH/c19-13(15-8-10-2-1-3-10)12-9-18(17-16-12)11-4-6-14-7-5-11;/h9-11,14H,1-8H2,(H,15,19);1H
InChIKeyASWIOEGOIWGPDC-UHFFFAOYSA-N
XLogP1.15
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
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-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
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
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119727343

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119724139) is N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is ASWIOEGOIWGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.ClH/c19-13(15-8-10-2-1-3-10)12-9-18(17-16-12)11-4-6-14-7-5-11;/h9-11,14H,1-8H2,(H,15,19);1H.
What are the key properties of N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119724139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).