1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one

C20H22FNO2 — CID 177164803

IUPAC1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1Cc1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C20H22FNO2/c1-15-6-5-9-20(23)22(15)13-17-12-18(10-11-19(17)21)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13-14H2,1H3
InChIKeyMARPHYKYGRTHEP-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.31
Rot. Bonds5

About 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one

1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one (PubChem CID 177164803) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one
PubChem CID177164803
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1Cc1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C20H22FNO2/c1-15-6-5-9-20(23)22(15)13-17-12-18(10-11-19(17)21)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13-14H2,1H3
InChIKeyMARPHYKYGRTHEP-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-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

tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
CID 156901287
6-amino-1-methyl-7-(4-phenylmethoxyphenyl)azepan-2-one
CID 113235020
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
CID 159724380
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
[2-fluoro-5-(3-phenylpropoxy)phenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
CID 21021892
1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929187
(1S,3R)-3-cyclohexyl-1-methyl-7-phenylmethoxy-1H-isochromen-4-one
CID 170706758
1-[[2-(chloromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 19385519
(4aR,8aS)-1-[(4-fluorophenyl)methyl]-6-[(4-phenylmethoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 26347718
(3S)-1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647772

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one?
The IUPAC name of 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one (CID 177164803) is 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one.
What is the SMILES notation for 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one?
The canonical SMILES for 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one is CC1CCCC(=O)N1Cc1cc(OCc2ccccc2)ccc1F.
What is the InChIKey of 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one?
The InChIKey is MARPHYKYGRTHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15-6-5-9-20(23)22(15)13-17-12-18(10-11-19(17)21)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13-14H2,1H3.
What are the key properties of 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one?
1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one has a molecular weight of 327.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one is sourced from PubChem (CID 177164803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).