5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H27ClN8O — CID 119821205

IUPAC5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H26N8O.ClH/c1-14-18(24-26-28(14)16-9-11-21-12-10-16)19(29)22-20(2,3)17-13-27(25-23-17)15-7-5-4-6-8-15;/h4-8,13,16,21H,9-12H2,1-3H3,(H,22,29);1H
InChIKeyOPOGCNPCBCSAOM-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.18
Rot. Bonds5

About 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119821205) has the molecular formula C20H27ClN8O and a molecular weight of 430.94 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119821205
Molecular FormulaC20H27ClN8O
Molecular Weight430.94 g/mol
Exact Mass430.20
IUPAC Name5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H26N8O.ClH/c1-14-18(24-26-28(14)16-9-11-21-12-10-16)19(29)22-20(2,3)17-13-27(25-23-17)15-7-5-4-6-8-15;/h4-8,13,16,21H,9-12H2,1-3H3,(H,22,29);1H
InChIKeyOPOGCNPCBCSAOM-UHFFFAOYSA-N
XLogP2.18
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119858719
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766068
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301
5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124691466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119821205) is 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is OPOGCNPCBCSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O.ClH/c1-14-18(24-26-28(14)16-9-11-21-12-10-16)19(29)22-20(2,3)17-13-27(25-23-17)15-7-5-4-6-8-15;/h4-8,13,16,21H,9-12H2,1-3H3,(H,22,29);1H.
What are the key properties of 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119821205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).