4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one

C23H26FNO — CID 67105163

IUPAC4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one
SMILESC=CCC1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C23H26FNO/c1-4-13-23(20-9-11-21(24)12-10-20)14-15-25(22(26)16-23)18(3)19-7-5-17(2)6-8-19/h4-12,18H,1,13-16H2,2-3H3/t18-,23?/m0/s1
InChIKeyIWRKUCYILRHZCR-XNUZUHMRSA-N
MW351.47 g/mol
LogP5.33
Rot. Bonds5

About 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one

4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one (PubChem CID 67105163) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one
PubChem CID67105163
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one
SMILESC=CCC1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C23H26FNO/c1-4-13-23(20-9-11-21(24)12-10-20)14-15-25(22(26)16-23)18(3)19-7-5-17(2)6-8-19/h4-12,18H,1,13-16H2,2-3H3/t18-,23?/m0/s1
InChIKeyIWRKUCYILRHZCR-XNUZUHMRSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
CID 67104529
(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
CID 91142930
(4S)-4-(2-aminoethyl)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)piperidin-2-one
CID 67104520
CID 158969332
CID 158969332
3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 74947211
1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-4-(2-oxopropyl)piperidin-2-one
CID 67105422
3-[(4S)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanenitrile
CID 67105449
(4S)-1-[(1R)-1-(4-bromophenyl)ethyl]-4-prop-2-enyl-4-thiophen-2-ylpiperidin-2-one
CID 90704045
1-[1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-4-prop-2-enyl-1,3-diazinan-2-one
CID 68780673
4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide
CID 68726030
6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
CID 66601270
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one (CID 67105163) is 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one is C=CCC1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(C)cc2)C(=O)C1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one?
The InChIKey is IWRKUCYILRHZCR-XNUZUHMRSA-N. The full InChI is InChI=1S/C23H26FNO/c1-4-13-23(20-9-11-21(24)12-10-20)14-15-25(22(26)16-23)18(3)19-7-5-17(2)6-8-19/h4-12,18H,1,13-16H2,2-3H3/t18-,23?/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one?
4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one has a molecular weight of 351.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 67105163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).