5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one

C24H25F2NO3 — CID 67537340

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one
SMILESCOc1ccc(C2CNC(=O)C(=Cc3cccc(F)c3F)C2)cc1OC1CCCC1
InChIInChI=1S/C24H25F2NO3/c1-29-21-10-9-15(13-22(21)30-19-6-2-3-7-19)18-12-17(24(28)27-14-18)11-16-5-4-8-20(25)23(16)26/h4-5,8-11,13,18-19H,2-3,6-7,12,14H2,1H3,(H,27,28)
InChIKeyIDCNUQBPYZCTSF-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.98
Rot. Bonds5

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one

5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one (PubChem CID 67537340) has the molecular formula C24H25F2NO3 and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one
PubChem CID67537340
Molecular FormulaC24H25F2NO3
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one
SMILESCOc1ccc(C2CNC(=O)C(=Cc3cccc(F)c3F)C2)cc1OC1CCCC1
InChIInChI=1S/C24H25F2NO3/c1-29-21-10-9-15(13-22(21)30-19-6-2-3-7-19)18-12-17(24(28)27-14-18)11-16-5-4-8-20(25)23(16)26/h4-5,8-11,13,18-19H,2-3,6-7,12,14H2,1H3,(H,27,28)
InChIKeyIDCNUQBPYZCTSF-UHFFFAOYSA-N
XLogP4.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylidene]piperidin-2-one
CID 67535668
(3E,5S)-3-(1,3-benzodioxol-4-ylmethylidene)-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67537140
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-nitrophenyl)methylidene]piperidin-2-one
CID 67537063
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)piperidin-2-one
CID 67536494
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethylidene)piperidin-2-one
CID 67536226
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(diethoxymethyl)phenyl]methylidene]piperidin-2-one
CID 67536991
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-imidazol-1-ylphenyl)methylidene]piperidin-2-one
CID 67535720
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one (CID 67537340) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one is COc1ccc(C2CNC(=O)C(=Cc3cccc(F)c3F)C2)cc1OC1CCCC1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one?
The InChIKey is IDCNUQBPYZCTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO3/c1-29-21-10-9-15(13-22(21)30-19-6-2-3-7-19)18-12-17(24(28)27-14-18)11-16-5-4-8-20(25)23(16)26/h4-5,8-11,13,18-19H,2-3,6-7,12,14H2,1H3,(H,27,28).
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one?
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one has a molecular weight of 413.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one is sourced from PubChem (CID 67537340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).