2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone

C19H25FN2O — CID 25452205

IUPAC2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O/c20-16-8-10-17(11-9-16)21-18-7-4-12-22(14-18)19(23)13-15-5-2-1-3-6-15/h5,8-11,18,21H,1-4,6-7,12-14H2/t18-/m0/s1
InChIKeyQZRYXUPEVJYDOP-SFHVURJKSA-N
MW316.42 g/mol
LogP4.12
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone (PubChem CID 25452205) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
PubChem CID25452205
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O/c20-16-8-10-17(11-9-16)21-18-7-4-12-22(14-18)19(23)13-15-5-2-1-3-6-15/h5,8-11,18,21H,1-4,6-7,12-14H2/t18-/m0/s1
InChIKeyQZRYXUPEVJYDOP-SFHVURJKSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
1-[(4aR,8aR)-6-[2-(4-fluorophenyl)acetyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 126466227
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95714644
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
N-[3-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 95726072

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone (CID 25452205) is 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone?
The InChIKey is QZRYXUPEVJYDOP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-16-8-10-17(11-9-16)21-18-7-4-12-22(14-18)19(23)13-15-5-2-1-3-6-15/h5,8-11,18,21H,1-4,6-7,12-14H2/t18-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone has a molecular weight of 316.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 25452205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).