N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H27ClN6O3 — CID 119778177

IUPACN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-12-18(24-25-26(12)14-7-9-21-10-8-14)20(28)23-17-6-5-15(29-2)11-16(17)19(27)22-13-3-4-13;/h5-6,11,13-14,21H,3-4,7-10H2,1-2H3,(H,22,27)(H,23,28);1H
InChIKeyOAJSNBPGFZEWPX-UHFFFAOYSA-N
MW434.93 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119778177) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119778177
Molecular FormulaC20H27ClN6O3
Molecular Weight434.93 g/mol
Exact Mass434.18
IUPAC NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-12-18(24-25-26(12)14-7-9-21-10-8-14)20(28)23-17-6-5-15(29-2)11-16(17)19(27)22-13-3-4-13;/h5-6,11,13-14,21H,3-4,7-10H2,1-2H3,(H,22,27)(H,23,28);1H
InChIKeyOAJSNBPGFZEWPX-UHFFFAOYSA-N
XLogP2.09
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669334
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691786
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119778177) is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c(C(=O)NC2CC2)c1.Cl.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is OAJSNBPGFZEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3.ClH/c1-12-18(24-25-26(12)14-7-9-21-10-8-14)20(28)23-17-6-5-15(29-2)11-16(17)19(27)22-13-3-4-13;/h5-6,11,13-14,21H,3-4,7-10H2,1-2H3,(H,22,27)(H,23,28);1H.
What are the key properties of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 434.93 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119778177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).