1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C28H27NO4 — CID 121142392

IUPAC1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)CC2)c2ccccc21
InChIInChI=1S/C28H27NO4/c30-26(14-13-21-9-6-10-23(19-21)32-20-22-7-2-1-3-8-22)29-17-15-28(16-18-29)25-12-5-4-11-24(25)27(31)33-28/h1-12,19H,13-18,20H2
InChIKeyUIZINUCVAQHJSO-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.89
Rot. Bonds6

About 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 121142392) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID121142392
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)CC2)c2ccccc21
InChIInChI=1S/C28H27NO4/c30-26(14-13-21-9-6-10-23(19-21)32-20-22-7-2-1-3-8-22)29-17-15-28(16-18-29)25-12-5-4-11-24(25)27(31)33-28/h1-12,19H,13-18,20H2
InChIKeyUIZINUCVAQHJSO-UHFFFAOYSA-N
XLogP4.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-[3-(3,4-dichlorophenyl)propanoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618561
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
CID 56853173
1'-[3-(2,6-dichlorophenyl)propanoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618560
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-3-(3-phenylmethoxyphenyl)propan-1-one
CID 121153426
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 73168193
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 121142392) is 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)CC2)c2ccccc21.
What is the InChIKey of 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is UIZINUCVAQHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c30-26(14-13-21-9-6-10-23(19-21)32-20-22-7-2-1-3-8-22)29-17-15-28(16-18-29)25-12-5-4-11-24(25)27(31)33-28/h1-12,19H,13-18,20H2.
What are the key properties of 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 441.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 121142392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).