N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H18ClF2N5O — CID 119696872

IUPACN-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H17F2N5O.ClH/c1-9-14(20-21-22(9)13-2-4-18-5-3-13)15(23)19-12-7-10(16)6-11(17)8-12;/h6-8,13,18H,2-5H2,1H3,(H,19,23);1H
InChIKeySBPUYNFTYQIICL-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.46
Rot. Bonds3

About N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119696872) has the molecular formula C15H18ClF2N5O and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119696872
Molecular FormulaC15H18ClF2N5O
Molecular Weight357.79 g/mol
Exact Mass357.12
IUPAC NameN-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H17F2N5O.ClH/c1-9-14(20-21-22(9)13-2-4-18-5-3-13)15(23)19-12-7-10(16)6-11(17)8-12;/h6-8,13,18H,2-5H2,1H3,(H,19,23);1H
InChIKeySBPUYNFTYQIICL-UHFFFAOYSA-N
XLogP2.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119696872) is N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is SBPUYNFTYQIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O.ClH/c1-9-14(20-21-22(9)13-2-4-18-5-3-13)15(23)19-12-7-10(16)6-11(17)8-12;/h6-8,13,18H,2-5H2,1H3,(H,19,23);1H.
What are the key properties of N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 357.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119696872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).