N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H20ClF2N5O — CID 119767728

IUPACN-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccc(C(F)F)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H19F2N5O.ClH/c1-10-14(21-22-23(10)13-5-7-19-8-6-13)16(24)20-12-4-2-3-11(9-12)15(17)18;/h2-4,9,13,15,19H,5-8H2,1H3,(H,20,24);1H
InChIKeyJSEKIRIPHSLXRO-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.12
Rot. Bonds4

About N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119767728) has the molecular formula C16H20ClF2N5O and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119767728
Molecular FormulaC16H20ClF2N5O
Molecular Weight371.82 g/mol
Exact Mass371.13
IUPAC NameN-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccc(C(F)F)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H19F2N5O.ClH/c1-10-14(21-22-23(10)13-5-7-19-8-6-13)16(24)20-12-4-2-3-11(9-12)15(17)18;/h2-4,9,13,15,19H,5-8H2,1H3,(H,20,24);1H
InChIKeyJSEKIRIPHSLXRO-UHFFFAOYSA-N
XLogP3.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[3-(difluoromethylsulfonyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770459
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119780303

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119767728) is N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2cccc(C(F)F)c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JSEKIRIPHSLXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O.ClH/c1-10-14(21-22-23(10)13-5-7-19-8-6-13)16(24)20-12-4-2-3-11(9-12)15(17)18;/h2-4,9,13,15,19H,5-8H2,1H3,(H,20,24);1H.
What are the key properties of N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 371.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119767728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).