5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one

C24H28F2N2O3 — CID 45138178

IUPAC5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCC(c3ccc(F)cc3)CC2(CO)c2ccc(F)cc2)OC1=O
InChIInChI=1S/C24H28F2N2O3/c1-27-15-22(31-23(27)30)11-13-28-12-10-18(17-2-6-20(25)7-3-17)14-24(28,16-29)19-4-8-21(26)9-5-19/h2-9,18,22,29H,10-16H2,1H3
InChIKeyQILSQDSZBGGYTJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.87
Rot. Bonds6

About 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one

5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 45138178) has the molecular formula C24H28F2N2O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID45138178
Molecular FormulaC24H28F2N2O3
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCC(c3ccc(F)cc3)CC2(CO)c2ccc(F)cc2)OC1=O
InChIInChI=1S/C24H28F2N2O3/c1-27-15-22(31-23(27)30)11-13-28-12-10-18(17-2-6-20(25)7-3-17)14-24(28,16-29)19-4-8-21(26)9-5-19/h2-9,18,22,29H,10-16H2,1H3
InChIKeyQILSQDSZBGGYTJ-UHFFFAOYSA-N
XLogP3.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

MK-0731
CID 11655511
Snap-7915
CID 9830741
(4S,5R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71452768
(2S)-4-(2,5-Difluorophenyl)-N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11442529
(2S)-4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11655513
(2S)-4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24905911
(2S)-4-(2,5-difluorophenyl)-N-(1-(2-fluoroethyl)piperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24905913
(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 44568311
(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 44568371
(4R,5R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
CID 53779053
(4R,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
CID 102012413
3-[(2-Fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134805603

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (CID 45138178) is 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is CN1CC(CCN2CCC(c3ccc(F)cc3)CC2(CO)c2ccc(F)cc2)OC1=O.
What is the InChIKey of 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is QILSQDSZBGGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O3/c1-27-15-22(31-23(27)30)11-13-28-12-10-18(17-2-6-20(25)7-3-17)14-24(28,16-29)19-4-8-21(26)9-5-19/h2-9,18,22,29H,10-16H2,1H3.
What are the key properties of 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 430.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,4-bis(4-fluorophenyl)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45138178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).