methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate

C25H26N2O5 — CID 15982794

IUPACmethyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C(=O)CCC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N2O5/c1-32-23(30)17-27-20-10-6-5-9-19(20)25(24(27)31)13-15-26(16-14-25)22(29)12-11-21(28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyRNIKEYISRYJJBB-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.73
Rot. Bonds6

About methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate

methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982794) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982794
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Namemethyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C(=O)CCC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N2O5/c1-32-23(30)17-27-20-10-6-5-9-19(20)25(24(27)31)13-15-26(16-14-25)22(29)12-11-21(28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyRNIKEYISRYJJBB-UHFFFAOYSA-N
XLogP2.73
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982794) is methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(C(=O)CCC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is RNIKEYISRYJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-32-23(30)17-27-20-10-6-5-9-19(20)25(24(27)31)13-15-26(16-14-25)22(29)12-11-21(28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3.
What are the key properties of methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 434.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).