N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H27ClN6O2 — CID 119703611

IUPACN-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-13(2)11-18(26)21-14-3-5-15(6-4-14)22-19(27)17-12-25(24-23-17)16-7-9-20-10-8-16;/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,26)(H,22,27);1H
InChIKeyKUFFEWIUZZKYOO-UHFFFAOYSA-N
MW406.92 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119703611) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119703611
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-13(2)11-18(26)21-14-3-5-15(6-4-14)22-19(27)17-12-25(24-23-17)16-7-9-20-10-8-16;/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,26)(H,22,27);1H
InChIKeyKUFFEWIUZZKYOO-UHFFFAOYSA-N
XLogP2.86
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119702447
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
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N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119703611) is N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KUFFEWIUZZKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-13(2)11-18(26)21-14-3-5-15(6-4-14)22-19(27)17-12-25(24-23-17)16-7-9-20-10-8-16;/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,26)(H,22,27);1H.
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119703611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).