3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one

C22H30N2O2 — CID 123145244

IUPAC3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one
SMILESCC1CCC1CC(=O)CC1(C)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C22H30N2O2/c1-15-7-8-16(15)13-18(25)14-22(2)19-5-3-4-6-20(19)24(21(22)26)17-9-11-23-12-10-17/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyRMCZAPXMHJZPDY-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.44
Rot. Bonds5

About 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one

3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one (PubChem CID 123145244) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one.

Molecular Properties

Compound Name3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one
PubChem CID123145244
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one
SMILESCC1CCC1CC(=O)CC1(C)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C22H30N2O2/c1-15-7-8-16(15)13-18(25)14-22(2)19-5-3-4-6-20(19)24(21(22)26)17-9-11-23-12-10-17/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyRMCZAPXMHJZPDY-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one
CID 86334658
3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-yl-3H-indol-2-one
CID 123417918
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
CID 158694819
2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide
CID 90259251
2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride
CID 90259250
(3R)-1-[1-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-3-(2-oxobutyl)indol-2-one
CID 134231827
(3S)-1-[1-[(2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-3-(2-oxobutyl)indol-2-one
CID 134231838
1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
CID 90259431
methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
CID 118529027
2-[(3S)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304974
2-[(3R)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one?
The IUPAC name of 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one (CID 123145244) is 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one.
What is the SMILES notation for 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one?
The canonical SMILES for 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one is CC1CCC1CC(=O)CC1(C)C(=O)N(C2CCNCC2)c2ccccc21.
What is the InChIKey of 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one?
The InChIKey is RMCZAPXMHJZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-7-8-16(15)13-18(25)14-22(2)19-5-3-4-6-20(19)24(21(22)26)17-9-11-23-12-10-17/h3-6,15-17,23H,7-14H2,1-2H3.
What are the key properties of 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one?
3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one is sourced from PubChem (CID 123145244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).