1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one

C24H34N2O2 — CID 158694819

IUPAC1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
SMILESCCC(=O)CC1(C)C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-3-20(27)17-24(2)21-11-7-8-12-22(21)26(23(24)28)19-13-15-25(16-14-19)18-9-5-4-6-10-18/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3
InChIKeyIGUPAMXYBSQGJE-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.46
Rot. Bonds5

About 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one

1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one (PubChem CID 158694819) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
PubChem CID158694819
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
SMILESCCC(=O)CC1(C)C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-3-20(27)17-24(2)21-11-7-8-12-22(21)26(23(24)28)19-13-15-25(16-14-19)18-9-5-4-6-10-18/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3
InChIKeyIGUPAMXYBSQGJE-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(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
3-methyl-3-[3-(2-methylcyclobutyl)-2-oxopropyl]-1-piperidin-4-ylindol-2-one
CID 123145244
N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 123473858
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
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
(3R)-3-ethyl-3-methyl-1-piperidin-4-ylindol-2-one
CID 86334658
3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050
methyl 2-[3-methyl-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
CID 90259594
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 86304160
methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
CID 118529027

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one (CID 158694819) is 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one is CCC(=O)CC1(C)C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one?
The InChIKey is IGUPAMXYBSQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-3-20(27)17-24(2)21-11-7-8-12-22(21)26(23(24)28)19-13-15-25(16-14-19)18-9-5-4-6-10-18/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one?
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one has a molecular weight of 382.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one is sourced from PubChem (CID 158694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).