1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one

C14H20N2O — CID 141034530

IUPAC1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one
SMILESCN1C(=O)CC2CC(C3CCNCC3)=CC=C21
InChIInChI=1S/C14H20N2O/c1-16-13-3-2-11(8-12(13)9-14(16)17)10-4-6-15-7-5-10/h2-3,10,12,15H,4-9H2,1H3
InChIKeyYYQCGFXMQUOKFR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.68
Rot. Bonds1

About 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one

1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one (PubChem CID 141034530) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one
PubChem CID141034530
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one
SMILESCN1C(=O)CC2CC(C3CCNCC3)=CC=C21
InChIInChI=1S/C14H20N2O/c1-16-13-3-2-11(8-12(13)9-14(16)17)10-4-6-15-7-5-10/h2-3,10,12,15H,4-9H2,1H3
InChIKeyYYQCGFXMQUOKFR-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 110197850
(3R)-3-(2,6-difluoro-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)piperidine-2,6-dione
CID 166947825
1,2,3,3a,4,4a,6,7-Octahydropyrrolo[2,3-g]isoquinolin-5-one
CID 70550521
spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one
CID 90730277
(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234281
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one
CID 137397197
N-[2-(5-methyl-3a,4-dihydro-1H-indol-3-yl)ethyl]icosanamide
CID 137414371
5-Butyl-1,3,3a,4-tetrahydroindol-2-one
CID 140157490
(3E)-3-ethylidene-4-propan-2-yl-5,6,7,7a-tetrahydroisoindol-1-one
CID 141956729
5-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile
CID 142484328
5-(1-Methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile
CID 142484869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one?
The IUPAC name of 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one (CID 141034530) is 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one is CN1C(=O)CC2CC(C3CCNCC3)=CC=C21.
What is the InChIKey of 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one?
The InChIKey is YYQCGFXMQUOKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-13-3-2-11(8-12(13)9-14(16)17)10-4-6-15-7-5-10/h2-3,10,12,15H,4-9H2,1H3.
What are the key properties of 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one?
1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperidin-4-yl-3a,4-dihydro-3H-indol-2-one is sourced from PubChem (CID 141034530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).