4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one

C23H29FN2O — CID 58369296

IUPAC4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
SMILESCc1ccc(CCC(=O)C(C)c2cccc(F)c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C23H29FN2O/c1-16-11-13-26(14-12-16)23-19(8-7-17(2)25-23)9-10-22(27)18(3)20-5-4-6-21(24)15-20/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyOFALRRWOJUKITI-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.07
Rot. Bonds6

About 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one

4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one (PubChem CID 58369296) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
PubChem CID58369296
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
SMILESCc1ccc(CCC(=O)C(C)c2cccc(F)c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C23H29FN2O/c1-16-11-13-26(14-12-16)23-19(8-7-17(2)25-23)9-10-22(27)18(3)20-5-4-6-21(24)15-20/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyOFALRRWOJUKITI-UHFFFAOYSA-N
XLogP5.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-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

N-[2-fluoro-4-[5-[2-(4-methoxypiperidin-1-yl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 161021654
2-[2-fluoro-4-[5-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]ethanesulfonamide
CID 158609843
3-[4-[3-fluoro-4-(sulfamoylamino)phenyl]-3-oxopentyl]-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 160947970
1-(3,5-dibromophenyl)-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one
CID 58369320
N-[2-methyl-4-[5-[6-methyl-2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 159338395
2-(4-amino-3,5-dibromophenyl)-N-[[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 145493009
N-[4-[5-[2-(3,5-dimethylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 147465919
(3S,4S)-1-[2-(3-fluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953267
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
N-[4-[5-[2-(azepan-1-yl)-6-[chloro(difluoro)methyl]-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 161062741
ethyl 5-[4-[3-fluoro-4-(methanesulfonamido)phenyl]-3-oxopentyl]-2-methyl-4-(4-methylpiperidin-1-yl)benzoate
CID 157088083
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one (CID 58369296) is 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one is Cc1ccc(CCC(=O)C(C)c2cccc(F)c2)c(N2CCC(C)CC2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The InChIKey is OFALRRWOJUKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-16-11-13-26(14-12-16)23-19(8-7-17(2)25-23)9-10-22(27)18(3)20-5-4-6-21(24)15-20/h4-8,15-16,18H,9-14H2,1-3H3.
What are the key properties of 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one has a molecular weight of 368.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one is sourced from PubChem (CID 58369296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).