N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C13H24ClN5O — CID 119737731

IUPACN-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-4-10(2)17(3)13(19)12-9-18(16-15-12)11-5-7-14-8-6-11;/h9-11,14H,4-8H2,1-3H3;1H
InChIKeyXNYSWKGTCJIQCJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.49
Rot. Bonds4

About N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119737731) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119737731
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC NameN-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-4-10(2)17(3)13(19)12-9-18(16-15-12)11-5-7-14-8-6-11;/h9-11,14H,4-8H2,1-3H3;1H
InChIKeyXNYSWKGTCJIQCJ-UHFFFAOYSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119817468
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717468
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855761

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119737731) is N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC(C)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XNYSWKGTCJIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-4-10(2)17(3)13(19)12-9-18(16-15-12)11-5-7-14-8-6-11;/h9-11,14H,4-8H2,1-3H3;1H.
What are the key properties of N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119737731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).