N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H24ClN5O — CID 119696941

IUPACN-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCC1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-18(11-4-2-3-5-11)14(20)13-10-19(17-16-13)12-6-8-15-9-7-12;/h10-12,15H,2-9H2,1H3;1H
InChIKeyYKBAQDOUZPGUCV-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.64
Rot. Bonds3

About N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119696941) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119696941
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC NameN-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCC1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-18(11-4-2-3-5-11)14(20)13-10-19(17-16-13)12-6-8-15-9-7-12;/h10-12,15H,2-9H2,1H3;1H
InChIKeyYKBAQDOUZPGUCV-UHFFFAOYSA-N
XLogP1.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119886851
1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
CID 79315997
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119696941) is N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CN(C(=O)c1cn(C2CCNCC2)nn1)C1CCCC1.Cl.
What is the InChIKey of N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YKBAQDOUZPGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.ClH/c1-18(11-4-2-3-5-11)14(20)13-10-19(17-16-13)12-6-8-15-9-7-12;/h10-12,15H,2-9H2,1H3;1H.
What are the key properties of N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119696941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).