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

C15H18F2N2O3 — CID 110907234

IUPAC3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(CO)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3/c16-12-4-3-11(6-13(12)17)15(22)18-7-14(21)19-5-1-2-10(8-19)9-20/h3-4,6,10,20H,1-2,5,7-9H2,(H,18,22)
InChIKeyDHUUPOSSFDNEGY-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.93
Rot. Bonds4

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

3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 110907234) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID110907234
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(CO)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3/c16-12-4-3-11(6-13(12)17)15(22)18-7-14(21)19-5-1-2-10(8-19)9-20/h3-4,6,10,20H,1-2,5,7-9H2,(H,18,22)
InChIKeyDHUUPOSSFDNEGY-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99616471
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 110907234) is 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCC(CO)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is DHUUPOSSFDNEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-12-4-3-11(6-13(12)17)15(22)18-7-14(21)19-5-1-2-10(8-19)9-20/h3-4,6,10,20H,1-2,5,7-9H2,(H,18,22).
What are the key properties of 3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 312.32 g/mol, XLogP of 0.93, 4 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-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 110907234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).