1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C25H23NO4 — CID 121142457

IUPAC1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C25H23NO4/c1-2-29-21-13-12-17-8-3-4-9-18(17)22(21)23(27)26-15-7-14-25(16-26)20-11-6-5-10-19(20)24(28)30-25/h3-6,8-13H,2,7,14-16H2,1H3
InChIKeyFYWFUTXTCIDIFE-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.54
Rot. Bonds3

About 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 121142457) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID121142457
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C25H23NO4/c1-2-29-21-13-12-17-8-3-4-9-18(17)22(21)23(27)26-15-7-14-25(16-26)20-11-6-5-10-19(20)24(28)30-25/h3-6,8-13H,2,7,14-16H2,1H3
InChIKeyFYWFUTXTCIDIFE-UHFFFAOYSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bephenium Hydroxynaphthoate
CID 54678490
Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
(3-Methoxynaphthalen-2-yl)(morpholino)methanone
CID 2712224
(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 24958835
(3,7-Dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone
CID 1115275
6,7-Dimethyl-1-(4-methylphenyl)-2-[3-(morpholin-4-yl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4987317
(2E)-1-(1-hydroxynaphthalen-2-yl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 5864629
Ethyl 1-(naphtho[2,1-b]furan-2-ylcarbonyl)piperidine-4-carboxylate
CID 6459167
(1-Benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate
CID 10690882
(1-Benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate
CID 10715375
(6-Methyl-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morpholin-4-yl-methanone
CID 24828424

Frequently Asked Questions

What is the IUPAC name of 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 121142457) is 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is CCOc1ccc2ccccc2c1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12.
What is the InChIKey of 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is FYWFUTXTCIDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-2-29-21-13-12-17-8-3-4-9-18(17)22(21)23(27)26-15-7-14-25(16-26)20-11-6-5-10-19(20)24(28)30-25/h3-6,8-13H,2,7,14-16H2,1H3.
What are the key properties of 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 401.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 121142457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).