1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C17H22N2O3 — CID 91914352

IUPAC1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCOCCC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C17H22N2O3/c1-18-14-6-4-3-5-13(14)17(16(18)21)8-10-19(11-9-17)15(20)7-12-22-2/h3-6H,7-12H2,1-2H3
InChIKeyCYCVXFBKDPVDMG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.56
Rot. Bonds3

About 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91914352) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91914352
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCOCCC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C17H22N2O3/c1-18-14-6-4-3-5-13(14)17(16(18)21)8-10-19(11-9-17)15(20)7-12-22-2/h3-6H,7-12H2,1-2H3
InChIKeyCYCVXFBKDPVDMG-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 56885360
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
CID 59909654
CID 59909654
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 91914352) is 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is COCCC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CYCVXFBKDPVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-14-6-4-3-5-13(14)17(16(18)21)8-10-19(11-9-17)15(20)7-12-22-2/h3-6H,7-12H2,1-2H3.
What are the key properties of 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91914352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).