3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide

C15H21F2N3O — CID 83016826

IUPAC3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-2-6-18-14-12(16)9-11(10-13(14)17)15(21)19-20-7-4-3-5-8-20/h9-10,18H,2-8H2,1H3,(H,19,21)
InChIKeyZLJMFSUYBJROEV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.92
Rot. Bonds5

About 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide

3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide (PubChem CID 83016826) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
PubChem CID83016826
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-2-6-18-14-12(16)9-11(10-13(14)17)15(21)19-20-7-4-3-5-8-20/h9-10,18H,2-8H2,1H3,(H,19,21)
InChIKeyZLJMFSUYBJROEV-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 9083904
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
CID 83025152
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
CID 106408572

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide (CID 83016826) is 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NN2CCCCC2)cc1F.
What is the InChIKey of 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide?
The InChIKey is ZLJMFSUYBJROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-2-6-18-14-12(16)9-11(10-13(14)17)15(21)19-20-7-4-3-5-8-20/h9-10,18H,2-8H2,1H3,(H,19,21).
What are the key properties of 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide?
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide is sourced from PubChem (CID 83016826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).