1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one

C27H28N2O4 — CID 22511267

IUPAC1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3
InChIInChI=1S/C27H28N2O4/c1-18-23-21(9-10-22-24(23)20(30)17-27(33-22)11-5-6-12-27)32-25(18)26(31)29-15-13-28(14-16-29)19-7-3-2-4-8-19/h2-4,7-10H,5-6,11-17H2,1H3
InChIKeyOKMJREGGYZGACO-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.98
Rot. Bonds2

About 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one

1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one (PubChem CID 22511267) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one.

Molecular Properties

Compound Name1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
PubChem CID22511267
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3
InChIInChI=1S/C27H28N2O4/c1-18-23-21(9-10-22-24(23)20(30)17-27(33-22)11-5-6-12-27)32-25(18)26(31)29-15-13-28(14-16-29)19-7-3-2-4-8-19/h2-4,7-10H,5-6,11-17H2,1H3
InChIKeyOKMJREGGYZGACO-UHFFFAOYSA-N
XLogP4.98
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one with MolForge

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Related Compounds

1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511190
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
CID 92669098
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
CID 22511287
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
CID 92669104
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511390
(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
CID 20916486
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
(7S)-7-(4-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
CID 98467339
N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511239

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one?
The IUPAC name of 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one (CID 22511267) is 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one.
What is the SMILES notation for 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one?
The canonical SMILES for 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3.
What is the InChIKey of 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one?
The InChIKey is OKMJREGGYZGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-18-23-21(9-10-22-24(23)20(30)17-27(33-22)11-5-6-12-27)32-25(18)26(31)29-15-13-28(14-16-29)19-7-3-2-4-8-19/h2-4,7-10H,5-6,11-17H2,1H3.
What are the key properties of 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one?
1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one has a molecular weight of 444.53 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one is sourced from PubChem (CID 22511267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).