N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H23Cl2N5O — CID 119769723

IUPACN-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C21H22ClN5O.ClH/c1-14-11-16(15-3-2-4-17(22)12-15)5-6-19(14)24-21(28)20-13-27(26-25-20)18-7-9-23-10-8-18;/h2-6,11-13,18,23H,7-10H2,1H3,(H,24,28);1H
InChIKeyAQMSAKFCUYUIMM-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.51
Rot. Bonds4

About N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119769723) has the molecular formula C21H23Cl2N5O and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119769723
Molecular FormulaC21H23Cl2N5O
Molecular Weight432.36 g/mol
Exact Mass431.13
IUPAC NameN-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C21H22ClN5O.ClH/c1-14-11-16(15-3-2-4-17(22)12-15)5-6-19(14)24-21(28)20-13-27(26-25-20)18-7-9-23-10-8-18;/h2-6,11-13,18,23H,7-10H2,1H3,(H,24,28);1H
InChIKeyAQMSAKFCUYUIMM-UHFFFAOYSA-N
XLogP4.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119773561
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
N-(2-methyl-5-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670857
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
N-(4-butan-2-ylsulfanyl-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119758934
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717744
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119829337

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119769723) is N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is AQMSAKFCUYUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.ClH/c1-14-11-16(15-3-2-4-17(22)12-15)5-6-19(14)24-21(28)20-13-27(26-25-20)18-7-9-23-10-8-18;/h2-6,11-13,18,23H,7-10H2,1H3,(H,24,28);1H.
What are the key properties of N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 432.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119769723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).