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

C14H15F2N5O — CID 119673598

IUPACN-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15F2N5O/c15-11-2-1-9(7-12(11)16)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,22)
InChIKeySVUVYYAHVANDSC-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.73
Rot. Bonds3

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

N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119673598) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119673598
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC NameN-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15F2N5O/c15-11-2-1-9(7-12(11)16)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,22)
InChIKeySVUVYYAHVANDSC-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

1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
1-(azetidin-3-yl)-N-(4-chloro-3-fluorophenyl)triazole-4-carboxamide
CID 79316764
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119673598) is N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is SVUVYYAHVANDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c15-11-2-1-9(7-12(11)16)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,22).
What are the key properties of N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3,4-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-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119673598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).