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

C32H33N3O3 — CID 134809752

IUPAC1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)c1ccc3[nH]ccc3c1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C32H33N3O3/c1-22(36)34-16-13-32(14-17-34)21-35(31(37)26-10-11-28-24(18-26)12-15-33-28)29-19-25(30(38-2)20-27(29)32)9-8-23-6-4-3-5-7-23/h3-7,10-12,15,18-20,33H,8-9,13-14,16-17,21H2,1-2H3
InChIKeyQMAXDRVFVDWDAS-UHFFFAOYSA-N
MW507.63 g/mol
LogP5.50
Rot. Bonds5

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

1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 134809752) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
PubChem CID134809752
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCOc1cc2c(cc1CCc1ccccc1)N(C(=O)c1ccc3[nH]ccc3c1)CC21CCN(C(C)=O)CC1
InChIInChI=1S/C32H33N3O3/c1-22(36)34-16-13-32(14-17-34)21-35(31(37)26-10-11-28-24(18-26)12-15-33-28)29-19-25(30(38-2)20-27(29)32)9-8-23-6-4-3-5-7-23/h3-7,10-12,15,18-20,33H,8-9,13-14,16-17,21H2,1-2H3
InChIKeyQMAXDRVFVDWDAS-UHFFFAOYSA-N
XLogP5.50
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

ethyl (3S)-1-(1H-indole-5-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 26334422
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23963856
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
N,N-diethyl-2-[[(6S)-4-(1H-indole-5-carbonyl)-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl]oxy]acetamide
CID 26144798

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (CID 134809752) is 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is COc1cc2c(cc1CCc1ccccc1)N(C(=O)c1ccc3[nH]ccc3c1)CC21CCN(C(C)=O)CC1.
What is the InChIKey of 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is QMAXDRVFVDWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-22(36)34-16-13-32(14-17-34)21-35(31(37)26-10-11-28-24(18-26)12-15-33-28)29-19-25(30(38-2)20-27(29)32)9-8-23-6-4-3-5-7-23/h3-7,10-12,15,18-20,33H,8-9,13-14,16-17,21H2,1-2H3.
What are the key properties of 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 507.63 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indole-5-carbonyl)-5-methoxy-6-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 134809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).