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

C16H20F2N2O3 — CID 99616471

IUPAC3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@H](O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c1-10(21)14-4-2-3-7-20(14)15(22)9-19-16(23)11-5-6-12(17)13(18)8-11/h5-6,8,10,14,21H,2-4,7,9H2,1H3,(H,19,23)/t10-,14+/m0/s1
InChIKeyABRALETWAKNSGW-IINYFYTJSA-N
MW326.34 g/mol
LogP1.46
Rot. Bonds4

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

3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 99616471) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID99616471
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@H](O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c1-10(21)14-4-2-3-7-20(14)15(22)9-19-16(23)11-5-6-12(17)13(18)8-11/h5-6,8,10,14,21H,2-4,7,9H2,1H3,(H,19,23)/t10-,14+/m0/s1
InChIKeyABRALETWAKNSGW-IINYFYTJSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
3,4-difluoro-N-[2-oxo-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide
CID 99616208
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)sulfanylethanone
CID 119436747
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 119467092
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119435232
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
3,4-difluoro-N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]benzamide
CID 113000247

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 99616471) is 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide is C[C@H](O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ABRALETWAKNSGW-IINYFYTJSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-10(21)14-4-2-3-7-20(14)15(22)9-19-16(23)11-5-6-12(17)13(18)8-11/h5-6,8,10,14,21H,2-4,7,9H2,1H3,(H,19,23)/t10-,14+/m0/s1.
What are the key properties of 3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 326.34 g/mol, XLogP of 1.46, 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-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 99616471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).