1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one

C18H25FN2O2 — CID 111380901

IUPAC1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
SMILESCC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(22)14-7-10-20(11-8-14)17-6-3-9-21(18(17)23)16-5-2-4-15(19)12-16/h2,4-5,12-14,17,22H,3,6-11H2,1H3
InChIKeyAAJFVEMIJQOSLD-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.41
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one

1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one (PubChem CID 111380901) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
PubChem CID111380901
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
SMILESCC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(22)14-7-10-20(11-8-14)17-6-3-9-21(18(17)23)16-5-2-4-15(19)12-16/h2,4-5,12-14,17,22H,3,6-11H2,1H3
InChIKeyAAJFVEMIJQOSLD-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-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

1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
CID 84597909
1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95353670
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473804
1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020445
(3S)-3-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-1-phenylpiperidin-2-one
CID 124856267
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one (CID 111380901) is 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one is CC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one?
The InChIKey is AAJFVEMIJQOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(22)14-7-10-20(11-8-14)17-6-3-9-21(18(17)23)16-5-2-4-15(19)12-16/h2,4-5,12-14,17,22H,3,6-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one?
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 111380901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).