4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one

C22H25F2NO2 — CID 67105408

IUPAC4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one
SMILESC[C@@H](c1cccc(F)c1)N1CCC(CCCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H25F2NO2/c1-16(17-4-2-5-20(24)14-17)25-12-11-22(10-3-13-26,15-21(25)27)18-6-8-19(23)9-7-18/h2,4-9,14,16,26H,3,10-13,15H2,1H3/t16-,22?/m0/s1
InChIKeyXFPVVXDKWNCTDD-CISYCMJJSA-N
MW373.44 g/mol
LogP4.36
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one

4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one (PubChem CID 67105408) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one
PubChem CID67105408
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one
SMILESC[C@@H](c1cccc(F)c1)N1CCC(CCCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H25F2NO2/c1-16(17-4-2-5-20(24)14-17)25-12-11-22(10-3-13-26,15-21(25)27)18-6-8-19(23)9-7-18/h2,4-9,14,16,26H,3,10-13,15H2,1H3/t16-,22?/m0/s1
InChIKeyXFPVVXDKWNCTDD-CISYCMJJSA-N
XLogP4.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-fluorophenyl)-4-(3-hydroxypropyl)-1-[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]piperidin-2-one
CID 162569207
(4S)-4-(4-fluorophenyl)-1-[(1S)-1-[4-(4-fluorophenyl)phenyl]propyl]-4-(3-hydroxypropyl)piperidin-2-one
CID 67104549
1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
CID 67104742
(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
CID 67105259
6-(4-fluorophenyl)-3-[1-(2-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one;6-(4-fluorophenyl)-3-[1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 159852700
(4S)-4-(2-aminoethyl)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)piperidin-2-one
CID 67104520
3-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propylurea
CID 67104508
3-[(4S)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanenitrile
CID 67105449
3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 74947211
N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide
CID 67105164
1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-4-(2-oxopropyl)piperidin-2-one
CID 67105422
1-[2-[(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-3-methylurea
CID 67105267

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one (CID 67105408) is 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one is C[C@@H](c1cccc(F)c1)N1CCC(CCCO)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one?
The InChIKey is XFPVVXDKWNCTDD-CISYCMJJSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-16(17-4-2-5-20(24)14-17)25-12-11-22(10-3-13-26,15-21(25)27)18-6-8-19(23)9-7-18/h2,4-9,14,16,26H,3,10-13,15H2,1H3/t16-,22?/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one?
4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one has a molecular weight of 373.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(3-hydroxypropyl)piperidin-2-one is sourced from PubChem (CID 67105408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).