4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one

C21H24FNO2 — CID 58075268

IUPAC4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one
SMILESCCC1CCN(Cc2ccc(OC)cc2)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-3-16-12-13-23(14-15-4-10-19(25-2)11-5-15)20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3
InChIKeyDMJWRKCKGIYARZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.38
Rot. Bonds5

About 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one

4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one (PubChem CID 58075268) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one
PubChem CID58075268
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one
SMILESCCC1CCN(Cc2ccc(OC)cc2)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-3-16-12-13-23(14-15-4-10-19(25-2)11-5-15)20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3
InChIKeyDMJWRKCKGIYARZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
Secoverine
CID 42470
AC-90179
CID 9799308
(6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746512
(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
CID 52942312
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
Cambridge id 7035693
CID 1075488
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
Ethyl 1-(4-methoxybenzyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10407491
6-(2-Methoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69082267
6-(2-Fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-methoxy-phenyl)-methanone
CID 1438038

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one (CID 58075268) is 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one is CCC1CCN(Cc2ccc(OC)cc2)C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one?
The InChIKey is DMJWRKCKGIYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-3-16-12-13-23(14-15-4-10-19(25-2)11-5-15)20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one?
4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one has a molecular weight of 341.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-one is sourced from PubChem (CID 58075268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).