N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H26ClN5O — CID 119672305

IUPACN-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-4-5-10-18(3)14(20)13-11(2)19(17-16-13)12-6-8-15-9-7-12;/h12,15H,4-10H2,1-3H3;1H
InChIKeyXJWAGJSXTHJJJR-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.80
Rot. Bonds5

About N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119672305) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119672305
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC NameN-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-4-5-10-18(3)14(20)13-11(2)19(17-16-13)12-6-8-15-9-7-12;/h12,15H,4-10H2,1-3H3;1H
InChIKeyXJWAGJSXTHJJJR-UHFFFAOYSA-N
XLogP1.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119783777
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119730839
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119672592
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119754980
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119672305) is N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCCN(C)C(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XJWAGJSXTHJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-4-5-10-18(3)14(20)13-11(2)19(17-16-13)12-6-8-15-9-7-12;/h12,15H,4-10H2,1-3H3;1H.
What are the key properties of N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119672305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).