N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide

C14H15F2N5O — CID 119707837

IUPACN-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15F2N5O/c15-10-2-1-3-11(13(10)16)18-14(22)12-8-21(20-19-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,22)
InChIKeyQOFSKTHOCQXCAJ-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.73
Rot. Bonds3

About N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119707837) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119707837
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC NameN-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15F2N5O/c15-10-2-1-3-11(13(10)16)18-14(22)12-8-21(20-19-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,22)
InChIKeyQOFSKTHOCQXCAJ-UHFFFAOYSA-N
XLogP1.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673430
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119707837) is N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1cccc(F)c1F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is QOFSKTHOCQXCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c15-10-2-1-3-11(13(10)16)18-14(22)12-8-21(20-19-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H,18,22).
What are the key properties of N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 307.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119707837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).