N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C15H17F2N5O — CID 119708022

IUPACN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H17F2N5O/c16-11-2-1-10(13(17)7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12/h1-2,7,9,12,18H,3-6,8H2,(H,19,23)
InChIKeyGSXXHOSFZXZCQX-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.41
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119708022) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119708022
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H17F2N5O/c16-11-2-1-10(13(17)7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12/h1-2,7,9,12,18H,3-6,8H2,(H,19,23)
InChIKeyGSXXHOSFZXZCQX-UHFFFAOYSA-N
XLogP1.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2,4-difluorophenyl)ethanone
CID 116590710
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119708022) is N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GSXXHOSFZXZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c16-11-2-1-10(13(17)7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12/h1-2,7,9,12,18H,3-6,8H2,(H,19,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119708022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).