1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one

C27H34N2O3 — CID 134808148

IUPAC1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C27H34N2O3/c1-19(2)26(31)29-18-27(12-14-28(15-13-27)20(3)30)23-17-25(32-4)22(16-24(23)29)11-10-21-8-6-5-7-9-21/h5-9,16-17,19H,10-15,18H2,1-4H3
InChIKeyQZWNHXPFPQDUMK-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.36
Rot. Bonds5

About 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one

1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one (PubChem CID 134808148) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one
PubChem CID134808148
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C27H34N2O3/c1-19(2)26(31)29-18-27(12-14-28(15-13-27)20(3)30)23-17-25(32-4)22(16-24(23)29)11-10-21-8-6-5-7-9-21/h5-9,16-17,19H,10-15,18H2,1-4H3
InChIKeyQZWNHXPFPQDUMK-UHFFFAOYSA-N
XLogP4.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one (CID 134808148) is 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one is COc1cc2c(cc1CCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C(C)=O)CC1.
What is the InChIKey of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one?
The InChIKey is QZWNHXPFPQDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-19(2)26(31)29-18-27(12-14-28(15-13-27)20(3)30)23-17-25(32-4)22(16-24(23)29)11-10-21-8-6-5-7-9-21/h5-9,16-17,19H,10-15,18H2,1-4H3.
What are the key properties of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one?
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one has a molecular weight of 434.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 134808148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).