2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C29H38N4O2 — CID 15408865

IUPAC2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCN1CCC2(CC1)COc1cc3c(cc12)N(CC(=O)N1CCN(CCc2ccccc2)CC1)CC3
InChIInChI=1S/C29H38N4O2/c1-30-13-9-29(10-14-30)22-35-27-19-24-8-12-33(26(24)20-25(27)29)21-28(34)32-17-15-31(16-18-32)11-7-23-5-3-2-4-6-23/h2-6,19-20H,7-18,21-22H2,1H3
InChIKeyQOQYZFJQUUWNTR-UHFFFAOYSA-N
MW474.65 g/mol
LogP2.79
Rot. Bonds5

About 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 15408865) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID15408865
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCN1CCC2(CC1)COc1cc3c(cc12)N(CC(=O)N1CCN(CCc2ccccc2)CC1)CC3
InChIInChI=1S/C29H38N4O2/c1-30-13-9-29(10-14-30)22-35-27-19-24-8-12-33(26(24)20-25(27)29)21-28(34)32-17-15-31(16-18-32)11-7-23-5-3-2-4-6-23/h2-6,19-20H,7-18,21-22H2,1H3
InChIKeyQOQYZFJQUUWNTR-UHFFFAOYSA-N
XLogP2.79
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 46910386
1-(4-methoxyphenyl)-4-[(2R)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
CID 46910387
1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
CID 46910477
1-(4-Methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 59485093
[4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
CID 44533193
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 134806757
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone
CID 134809961
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one
CID 134808148
CID 134809148
CID 134809148
1-[5-methoxy-1-(4-methylcyclohexanecarbonyl)-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
CID 134809175
5-(5'-Methoxycarbonyl-2'-methylbiphenyl-4-carbonyl)-1'-methyl-2,3,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine]
CID 21833748
1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
CID 134805430

Frequently Asked Questions

What is the IUPAC name of 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 15408865) is 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is CN1CCC2(CC1)COc1cc3c(cc12)N(CC(=O)N1CCN(CCc2ccccc2)CC1)CC3.
What is the InChIKey of 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is QOQYZFJQUUWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-30-13-9-29(10-14-30)22-35-27-19-24-8-12-33(26(24)20-25(27)29)21-28(34)32-17-15-31(16-18-32)11-7-23-5-3-2-4-6-23/h2-6,19-20H,7-18,21-22H2,1H3.
What are the key properties of 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 474.65 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 15408865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).