N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide

C15H17F2N3O — CID 115674649

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NC2(C#N)CCN(C)CC2)c(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-10-7-11(13(17)8-12(10)16)14(21)19-15(9-18)3-5-20(2)6-4-15/h7-8H,3-6H2,1-2H3,(H,19,21)
InChIKeyXLRORNAABGWLCG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.99
Rot. Bonds2

About N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide

N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide (PubChem CID 115674649) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
PubChem CID115674649
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NC2(C#N)CCN(C)CC2)c(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-10-7-11(13(17)8-12(10)16)14(21)19-15(9-18)3-5-20(2)6-4-15/h7-8H,3-6H2,1-2H3,(H,19,21)
InChIKeyXLRORNAABGWLCG-UHFFFAOYSA-N
XLogP1.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocyclopropyl)-4,5-difluoro-2-iodobenzamide
CID 71969796
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
N-(3-cyanothiolan-3-yl)-2-fluoro-4-methylbenzamide
CID 79788302
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
CID 61124171

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide (CID 115674649) is N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)c(F)cc1F.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is XLRORNAABGWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-7-11(13(17)8-12(10)16)14(21)19-15(9-18)3-5-20(2)6-4-15/h7-8H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 115674649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).