N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H25ClN6O — CID 126792948

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24N6O.ClH/c1-13-18(23-24-25(13)15-7-9-20-10-8-15)19(26)21-11-6-14-12-22-17-5-3-2-4-16(14)17;/h2-5,12,15,20,22H,6-11H2,1H3,(H,21,26);1H
InChIKeyBBVUEJOOXSUMNW-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 126792948) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID126792948
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24N6O.ClH/c1-13-18(23-24-25(13)15-7-9-20-10-8-15)19(26)21-11-6-14-12-22-17-5-3-2-4-16(14)17;/h2-5,12,15,20,22H,6-11H2,1H3,(H,21,26);1H
InChIKeyBBVUEJOOXSUMNW-UHFFFAOYSA-N
XLogP2.39
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119738741
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 4874239
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735840
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 126792948) is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is BBVUEJOOXSUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.ClH/c1-13-18(23-24-25(13)15-7-9-20-10-8-15)19(26)21-11-6-14-12-22-17-5-3-2-4-16(14)17;/h2-5,12,15,20,22H,6-11H2,1H3,(H,21,26);1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 126792948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).