N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C18H25Cl3N6O — CID 119856720

IUPACN-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2NC2CC2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23ClN6O.2ClH/c1-11-17(23-24-25(11)14-6-8-20-9-7-14)18(26)22-16-10-12(19)2-5-15(16)21-13-3-4-13;;/h2,5,10,13-14,20-21H,3-4,6-9H2,1H3,(H,22,26);2*1H
InChIKeyQFCAEXAEXLLOOE-UHFFFAOYSA-N
MW447.80 g/mol
LogP3.83
Rot. Bonds5

About N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119856720) has the molecular formula C18H25Cl3N6O and a molecular weight of 447.80 g/mol. Its IUPAC name is N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119856720
Molecular FormulaC18H25Cl3N6O
Molecular Weight447.80 g/mol
Exact Mass446.12
IUPAC NameN-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2NC2CC2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23ClN6O.2ClH/c1-11-17(23-24-25(11)14-6-8-20-9-7-14)18(26)22-16-10-12(19)2-5-15(16)21-13-3-4-13;;/h2,5,10,13-14,20-21H,3-4,6-9H2,1H3,(H,22,26);2*1H
InChIKeyQFCAEXAEXLLOOE-UHFFFAOYSA-N
XLogP3.83
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.80
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119808220
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119778177
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119856720) is N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)Nc2cc(Cl)ccc2NC2CC2)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is QFCAEXAEXLLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O.2ClH/c1-11-17(23-24-25(11)14-6-8-20-9-7-14)18(26)22-16-10-12(19)2-5-15(16)21-13-3-4-13;;/h2,5,10,13-14,20-21H,3-4,6-9H2,1H3,(H,22,26);2*1H.
What are the key properties of N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 447.80 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119856720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).