3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide

C14H16F2N2O3 — CID 110901522

IUPAC3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O3/c15-11-2-1-9(7-12(11)16)14(21)17-8-13(20)18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,17,21)
InChIKeyOTOOYKWHHPSWCL-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.68
Rot. Bonds3

About 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide

3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 110901522) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID110901522
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O3/c15-11-2-1-9(7-12(11)16)14(21)17-8-13(20)18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,17,21)
InChIKeyOTOOYKWHHPSWCL-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99616471
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
CID 166219169
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide (CID 110901522) is 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(O)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is OTOOYKWHHPSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-11-2-1-9(7-12(11)16)14(21)17-8-13(20)18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,17,21).
What are the key properties of 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 298.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110901522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).