N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C19H27Cl3N6O — CID 119829337

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25ClN6O.2ClH/c20-14-4-5-18(25-10-2-1-3-11-25)16(12-14)22-19(27)17-13-26(24-23-17)15-6-8-21-9-7-15;;/h4-5,12-13,15,21H,1-3,6-11H2,(H,22,27);2*1H
InChIKeyJJKFAUAWWXXLPN-UHFFFAOYSA-N
MW461.83 g/mol
LogP3.94
Rot. Bonds4

About N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119829337) has the molecular formula C19H27Cl3N6O and a molecular weight of 461.83 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119829337
Molecular FormulaC19H27Cl3N6O
Molecular Weight461.83 g/mol
Exact Mass460.13
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25ClN6O.2ClH/c20-14-4-5-18(25-10-2-1-3-11-25)16(12-14)22-19(27)17-13-26(24-23-17)15-6-8-21-9-7-15;;/h4-5,12-13,15,21H,1-3,6-11H2,(H,22,27);2*1H
InChIKeyJJKFAUAWWXXLPN-UHFFFAOYSA-N
XLogP3.94
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.83
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673430
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119773561
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697730
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119829337) is N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is JJKFAUAWWXXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O.2ClH/c20-14-4-5-18(25-10-2-1-3-11-25)16(12-14)22-19(27)17-13-26(24-23-17)15-6-8-21-9-7-15;;/h4-5,12-13,15,21H,1-3,6-11H2,(H,22,27);2*1H.
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 461.83 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119829337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).