[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

C25H28N2O4 — CID 166231617

IUPAC[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC34CCc3ccccc34)CC2)c1OC
InChIInChI=1S/C25H28N2O4/c1-30-21-9-5-7-18(22(21)31-2)23(28)26-12-14-27(15-13-26)24(29)20-16-25(20)11-10-17-6-3-4-8-19(17)25/h3-9,20H,10-16H2,1-2H3
InChIKeyRGOJXIYBNIDPJC-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.89
Rot. Bonds4

About [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (PubChem CID 166231617) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
PubChem CID166231617
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC34CCc3ccccc34)CC2)c1OC
InChIInChI=1S/C25H28N2O4/c1-30-21-9-5-7-18(22(21)31-2)23(28)26-12-14-27(15-13-26)24(29)20-16-25(20)11-10-17-6-3-4-8-19(17)25/h3-9,20H,10-16H2,1-2H3
InChIKeyRGOJXIYBNIDPJC-UHFFFAOYSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone with MolForge

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Related Compounds

[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
CID 163403651
CID 163403651
(3S,4S)-4-methyl-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952248
1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 122281039
3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 75468323
(3R)-3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319570
(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The IUPAC name of [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (CID 166231617) is [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.
What is the SMILES notation for [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The canonical SMILES for [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is COc1cccc(C(=O)N2CCN(C(=O)C3CC34CCc3ccccc34)CC2)c1OC.
What is the InChIKey of [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The InChIKey is RGOJXIYBNIDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-30-21-9-5-7-18(22(21)31-2)23(28)26-12-14-27(15-13-26)24(29)20-16-25(20)11-10-17-6-3-4-8-19(17)25/h3-9,20H,10-16H2,1-2H3.
What are the key properties of [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone has a molecular weight of 420.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is sourced from PubChem (CID 166231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).