methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate

C25H34N2O3 — CID 15982937

IUPACmethyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21
InChIInChI=1S/C25H34N2O3/c1-30-23(28)17-27-22-9-5-4-8-21(22)25(24(27)29)12-14-26(15-13-25)20-11-10-18-6-2-3-7-19(18)16-20/h4-5,8-9,18-20H,2-3,6-7,10-17H2,1H3
InChIKeyGSLPZHCOJZRJIT-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.90
Rot. Bonds3

About methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate

methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982937) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982937
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Namemethyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21
InChIInChI=1S/C25H34N2O3/c1-30-23(28)17-27-22-9-5-4-8-21(22)25(24(27)29)12-14-26(15-13-25)20-11-10-18-6-2-3-7-19(18)16-20/h4-5,8-9,18-20H,2-3,6-7,10-17H2,1H3
InChIKeyGSLPZHCOJZRJIT-UHFFFAOYSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982937) is methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is GSLPZHCOJZRJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-30-23(28)17-27-22-9-5-4-8-21(22)25(24(27)29)12-14-26(15-13-25)20-11-10-18-6-2-3-7-19(18)16-20/h4-5,8-9,18-20H,2-3,6-7,10-17H2,1H3.
What are the key properties of methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 410.56 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).