ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate

C25H30N2O3 — CID 69266254

IUPACethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1)CN1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H30N2O3/c1-3-30-23(28)20(17-19-9-5-4-6-10-19)18-27-15-13-25(14-16-27)21-11-7-8-12-22(21)26(2)24(25)29/h4-12,20H,3,13-18H2,1-2H3
InChIKeyWBETYXSSTPBRPH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.42
Rot. Bonds6

About ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate

ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate (PubChem CID 69266254) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
PubChem CID69266254
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Nameethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1)CN1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H30N2O3/c1-3-30-23(28)20(17-19-9-5-4-6-10-19)18-27-15-13-25(14-16-27)21-11-7-8-12-22(21)26(2)24(25)29/h4-12,20H,3,13-18H2,1-2H3
InChIKeyWBETYXSSTPBRPH-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoate
CID 69264401
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
CID 95710662
CID 59909654
CID 59909654
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
diethyl (2S)-2-benzylbutanedioate
CID 24748926
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 10408394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate?
The IUPAC name of ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate (CID 69266254) is ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate.
What is the SMILES notation for ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate?
The canonical SMILES for ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate is CCOC(=O)C(Cc1ccccc1)CN1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate?
The InChIKey is WBETYXSSTPBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-3-30-23(28)20(17-19-9-5-4-6-10-19)18-27-15-13-25(14-16-27)21-11-7-8-12-22(21)26(2)24(25)29/h4-12,20H,3,13-18H2,1-2H3.
What are the key properties of ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate?
ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate has a molecular weight of 406.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate is sourced from PubChem (CID 69266254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).