N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C18H23Cl2N7O — CID 126766931

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H21N7O.2ClH/c1-12-16(23-24-25(12)15-6-8-19-9-7-15)18(26)22-14-4-2-13(3-5-14)17-20-10-11-21-17;;/h2-5,10-11,15,19H,6-9H2,1H3,(H,20,21)(H,22,26);2*1H
InChIKeyXBHVECDSLMVIJK-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.00
Rot. Bonds4

About N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 126766931) has the molecular formula C18H23Cl2N7O and a molecular weight of 424.34 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID126766931
Molecular FormulaC18H23Cl2N7O
Molecular Weight424.34 g/mol
Exact Mass423.13
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H21N7O.2ClH/c1-12-16(23-24-25(12)15-6-8-19-9-7-15)18(26)22-14-4-2-13(3-5-14)17-20-10-11-21-17;;/h2-5,10-11,15,19H,6-9H2,1H3,(H,20,21)(H,22,26);2*1H
InChIKeyXBHVECDSLMVIJK-UHFFFAOYSA-N
XLogP3.00
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119670658
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5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
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N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119780303
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 126766931) is N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is XBHVECDSLMVIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.2ClH/c1-12-16(23-24-25(12)15-6-8-19-9-7-15)18(26)22-14-4-2-13(3-5-14)17-20-10-11-21-17;;/h2-5,10-11,15,19H,6-9H2,1H3,(H,20,21)(H,22,26);2*1H.
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 424.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 126766931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).