(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one

C22H30FNO — CID 91142930

IUPAC(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)CCN([C@H](C)C2CCCCC2)C(=O)C1
InChIInChI=1S/C22H30FNO/c1-3-13-22(19-9-11-20(23)12-10-19)14-15-24(21(25)16-22)17(2)18-7-5-4-6-8-18/h3,9-12,17-18H,1,4-8,13-16H2,2H3/t17-,22+/m1/s1
InChIKeyOLCICCICZKTJHN-VGSWGCGISA-N
MW343.49 g/mol
LogP5.23
Rot. Bonds5

About (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one

(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one (PubChem CID 91142930) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
PubChem CID91142930
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)CCN([C@H](C)C2CCCCC2)C(=O)C1
InChIInChI=1S/C22H30FNO/c1-3-13-22(19-9-11-20(23)12-10-19)14-15-24(21(25)16-22)17(2)18-7-5-4-6-8-18/h3,9-12,17-18H,1,4-8,13-16H2,2H3/t17-,22+/m1/s1
InChIKeyOLCICCICZKTJHN-VGSWGCGISA-N
XLogP5.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sameridine
CID 65996
Dipipanone
CID 13331
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
AI3-37156
CID 897567
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10205387
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
Glutarimide, N-methyl-3-phenyl-
CID 3043001
N,N-diethyl-2,2-diphenylacetamide
CID 229107

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one?
The IUPAC name of (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one (CID 91142930) is (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one?
The canonical SMILES for (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one is C=CC[C@]1(c2ccc(F)cc2)CCN([C@H](C)C2CCCCC2)C(=O)C1.
What is the InChIKey of (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one?
The InChIKey is OLCICCICZKTJHN-VGSWGCGISA-N. The full InChI is InChI=1S/C22H30FNO/c1-3-13-22(19-9-11-20(23)12-10-19)14-15-24(21(25)16-22)17(2)18-7-5-4-6-8-18/h3,9-12,17-18H,1,4-8,13-16H2,2H3/t17-,22+/m1/s1.
What are the key properties of (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one?
(4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one has a molecular weight of 343.49 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(1R)-1-cyclohexylethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 91142930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).