1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one

C18H26FN3O — CID 119919252

IUPAC1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
SMILESCNC1CCCN(C2CCCN(c3cc(C)ccc3F)C2=O)C1
InChIInChI=1S/C18H26FN3O/c1-13-7-8-15(19)17(11-13)22-10-4-6-16(18(22)23)21-9-3-5-14(12-21)20-2/h7-8,11,14,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyRFEGKPXCCANYOU-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.31
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one

1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one (PubChem CID 119919252) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
PubChem CID119919252
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
SMILESCNC1CCCN(C2CCCN(c3cc(C)ccc3F)C2=O)C1
InChIInChI=1S/C18H26FN3O/c1-13-7-8-15(19)17(11-13)22-10-4-6-16(18(22)23)21-9-3-5-14(12-21)20-2/h7-8,11,14,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyRFEGKPXCCANYOU-UHFFFAOYSA-N
XLogP2.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)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-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
CID 119920464
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-fluoro-5-methylphenyl)piperidin-2-one;2,2,2-trifluoroacetic acid
CID 166180915
2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
CID 86798243
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716104
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
CID 64959864
2-(2-fluoro-4-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79928985
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one (CID 119919252) is 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one is CNC1CCCN(C2CCCN(c3cc(C)ccc3F)C2=O)C1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one?
The InChIKey is RFEGKPXCCANYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-13-7-8-15(19)17(11-13)22-10-4-6-16(18(22)23)21-9-3-5-14(12-21)20-2/h7-8,11,14,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one?
1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one has a molecular weight of 319.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 119919252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).