3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide

C16H20F2N2O3 — CID 99824173

IUPAC3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H](O)C1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H20F2N2O3/c1-10(21)11-2-4-20(5-3-11)15(22)9-19-16(23)12-6-13(17)8-14(18)7-12/h6-8,10-11,21H,2-5,9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyTVDRUNNLPVWTMC-SNVBAGLBSA-N
MW326.34 g/mol
LogP1.31
Rot. Bonds4

About 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide

3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 99824173) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID99824173
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H](O)C1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H20F2N2O3/c1-10(21)11-2-4-20(5-3-11)15(22)9-19-16(23)12-6-13(17)8-14(18)7-12/h6-8,10-11,21H,2-5,9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyTVDRUNNLPVWTMC-SNVBAGLBSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
CID 127317600
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
CID 75442082
3-(3,5-difluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 67540558
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 99824173) is 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide is C[C@@H](O)C1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is TVDRUNNLPVWTMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-10(21)11-2-4-20(5-3-11)15(22)9-19-16(23)12-6-13(17)8-14(18)7-12/h6-8,10-11,21H,2-5,9H2,1H3,(H,19,23)/t10-/m1/s1.
What are the key properties of 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide?
3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 326.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 99824173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).