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

C31H34N2O4 — CID 134809961

IUPAC1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)COc1ccccc1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C31H34N2O4/c1-23(34)32-17-15-31(16-18-32)22-33(30(35)21-37-26-11-7-4-8-12-26)28-19-25(29(36-2)20-27(28)31)14-13-24-9-5-3-6-10-24/h3-12,19-20H,13-18,21-22H2,1-2H3
InChIKeyYMYULVPRAPQGAW-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.79
Rot. Bonds7

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

1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone (PubChem CID 134809961) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone
PubChem CID134809961
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Name1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)COc1ccccc1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C31H34N2O4/c1-23(34)32-17-15-31(16-18-32)22-33(30(35)21-37-26-11-7-4-8-12-26)28-19-25(29(36-2)20-27(28)31)14-13-24-9-5-3-6-10-24/h3-12,19-20H,13-18,21-22H2,1-2H3
InChIKeyYMYULVPRAPQGAW-UHFFFAOYSA-N
XLogP4.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 118284331
N-[4-[2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
CID 4047713
4-(Biphenyl-4-ylmethoxy)-1-{4-[2-(pyrrolidin-1-yl)-ethoxy]phenyl}pyridin-2(1H)-one
CID 53321222
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one
CID 73357076
(3S)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 73291735
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 118284259
(3S)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 118284277
1-(2,3-Dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
CID 2999346
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 134806757
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
CID 73388006
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one
CID 73388327
(3R)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 118284276

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-phenoxyethanone?
The IUPAC name of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone (CID 134809961) is 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone is COc1cc2c(cc1CCc1ccccc1)N(C(=O)COc1ccccc1)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-phenoxyethanone?
The InChIKey is YMYULVPRAPQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-23(34)32-17-15-31(16-18-32)22-33(30(35)21-37-26-11-7-4-8-12-26)28-19-25(29(36-2)20-27(28)31)14-13-24-9-5-3-6-10-24/h3-12,19-20H,13-18,21-22H2,1-2H3.
What are the key properties of 1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone?
1-[1'-acetyl-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-phenoxyethanone has a molecular weight of 498.62 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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-phenoxyethanone is sourced from PubChem (CID 134809961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).