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

C19H27ClFN5O — CID 119766068

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)(C)c2ccccc2F)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H26FN5O.ClH/c1-13-17(23-24-25(13)14-8-10-21-11-9-14)18(26)22-12-19(2,3)15-6-4-5-7-16(15)20;/h4-7,14,21H,8-12H2,1-3H3,(H,22,26);1H
InChIKeyNOGDACFCSVHETP-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.78
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119766068) has the molecular formula C19H27ClFN5O and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119766068
Molecular FormulaC19H27ClFN5O
Molecular Weight395.91 g/mol
Exact Mass395.19
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)(C)c2ccccc2F)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H26FN5O.ClH/c1-13-17(23-24-25(13)14-8-10-21-11-9-14)18(26)22-12-19(2,3)15-6-4-5-7-16(15)20;/h4-7,14,21H,8-12H2,1-3H3,(H,22,26);1H
InChIKeyNOGDACFCSVHETP-UHFFFAOYSA-N
XLogP2.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119756975
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815699
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119766068) is N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC(C)(C)c2ccccc2F)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is NOGDACFCSVHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O.ClH/c1-13-17(23-24-25(13)14-8-10-21-11-9-14)18(26)22-12-19(2,3)15-6-4-5-7-16(15)20;/h4-7,14,21H,8-12H2,1-3H3,(H,22,26);1H.
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119766068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).