N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C22H34Cl2N6O — CID 119850392

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCC(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C22H32N6O.2ClH/c1-3-19(27-13-10-17-6-4-5-7-18(17)15-27)14-24-22(29)21-16(2)28(26-25-21)20-8-11-23-12-9-20;;/h4-7,19-20,23H,3,8-15H2,1-2H3,(H,24,29);2*1H
InChIKeyLFTOPHYOJNYCFM-UHFFFAOYSA-N
MW469.46 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119850392) has the molecular formula C22H34Cl2N6O and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119850392
Molecular FormulaC22H34Cl2N6O
Molecular Weight469.46 g/mol
Exact Mass468.22
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCC(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C22H32N6O.2ClH/c1-3-19(27-13-10-17-6-4-5-7-18(17)15-27)14-24-22(29)21-16(2)28(26-25-21)20-8-11-23-12-9-20;;/h4-7,19-20,23H,3,8-15H2,1-2H3,(H,24,29);2*1H
InChIKeyLFTOPHYOJNYCFM-UHFFFAOYSA-N
XLogP2.92
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563549
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119778435
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119841658
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methylfuran-3-carboxamide
CID 46414258
3,6-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]pyridine-2-carboxamide
CID 46414260
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119747290
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718313

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119850392) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CCC(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCc2ccccc2C1.Cl.Cl.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is LFTOPHYOJNYCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O.2ClH/c1-3-19(27-13-10-17-6-4-5-7-18(17)15-27)14-24-22(29)21-16(2)28(26-25-21)20-8-11-23-12-9-20;;/h4-7,19-20,23H,3,8-15H2,1-2H3,(H,24,29);2*1H.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 469.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119850392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).