N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H19ClFN5O — CID 119670658

IUPACN-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H18FN5O.ClH/c1-10-14(15(22)18-12-4-2-11(16)3-5-12)19-20-21(10)13-6-8-17-9-7-13;/h2-5,13,17H,6-9H2,1H3,(H,18,22);1H
InChIKeyBESGGNZRKFQJCI-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.32
Rot. Bonds3

About N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119670658) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119670658
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC NameN-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H18FN5O.ClH/c1-10-14(15(22)18-12-4-2-11(16)3-5-12)19-20-21(10)13-6-8-17-9-7-13;/h2-5,13,17H,6-9H2,1H3,(H,18,22);1H
InChIKeyBESGGNZRKFQJCI-UHFFFAOYSA-N
XLogP2.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680112
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735344

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119670658) is N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2ccc(F)cc2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is BESGGNZRKFQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O.ClH/c1-10-14(15(22)18-12-4-2-11(16)3-5-12)19-20-21(10)13-6-8-17-9-7-13;/h2-5,13,17H,6-9H2,1H3,(H,18,22);1H.
What are the key properties of N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 339.80 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119670658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).