1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

C28H34N2O4 — CID 134805430

IUPAC1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)[C@@H]1CCCO1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C28H34N2O4/c1-20(31)29-14-12-28(13-15-29)19-30(27(32)25-9-6-16-34-25)24-17-22(26(33-2)18-23(24)28)11-10-21-7-4-3-5-8-21/h3-5,7-8,17-18,25H,6,9-16,19H2,1-2H3/t25-/m0/s1
InChIKeyMOGUYFJLKZLJBW-VWLOTQADSA-N
MW462.59 g/mol
LogP3.89
Rot. Bonds5

About 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 134805430) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
PubChem CID134805430
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)[C@@H]1CCCO1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C28H34N2O4/c1-20(31)29-14-12-28(13-15-29)19-30(27(32)25-9-6-16-34-25)24-17-22(26(33-2)18-23(24)28)11-10-21-7-4-3-5-8-21/h3-5,7-8,17-18,25H,6,9-16,19H2,1-2H3/t25-/m0/s1
InChIKeyMOGUYFJLKZLJBW-VWLOTQADSA-N
XLogP3.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (CID 134805430) is 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is COc1cc2c(cc1CCc1ccccc1)N(C(=O)[C@@H]1CCCO1)CC21CCN(C(C)=O)CC1.
What is the InChIKey of 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is MOGUYFJLKZLJBW-VWLOTQADSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-20(31)29-14-12-28(13-15-29)19-30(27(32)25-9-6-16-34-25)24-17-22(26(33-2)18-23(24)28)11-10-21-7-4-3-5-8-21/h3-5,7-8,17-18,25H,6,9-16,19H2,1-2H3/t25-/m0/s1.
What are the key properties of 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 462.59 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1-[(2S)-oxolane-2-carbonyl]-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 134805430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).