1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C19H24N2O3 — CID 91914380

IUPAC1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-16-5-3-2-4-15(16)19(18(20)23)8-10-21(11-9-19)17(22)14-6-12-24-13-7-14/h2-5,14H,6-13H2,1H3
InChIKeyKSAUDDJHMMQXJO-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.95
Rot. Bonds1

About 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 91914380) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID91914380
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-16-5-3-2-4-15(16)19(18(20)23)8-10-21(11-9-19)17(22)14-6-12-24-13-7-14/h2-5,14H,6-13H2,1H3
InChIKeyKSAUDDJHMMQXJO-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-[(4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carbonyl]-1-methylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 163333575
1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
CID 95721558
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
CID 59909654
CID 59909654
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
1-methyl-1'-(2-morpholin-2-ylacetyl)spiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 154893621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 91914380) is 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is KSAUDDJHMMQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-16-5-3-2-4-15(16)19(18(20)23)8-10-21(11-9-19)17(22)14-6-12-24-13-7-14/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 328.41 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91914380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).