methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate

C27H32N2O3 — CID 118529027

IUPACmethyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
SMILESCOC(=O)CC1(C)C(=O)N(C2CCN(C3(C)CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C27H32N2O3/c1-26(18-24(30)32-3)22-10-6-7-11-23(22)29(25(26)31)20-13-16-28(17-14-20)27(2)15-12-19-8-4-5-9-21(19)27/h4-11,20H,12-18H2,1-3H3
InChIKeyBMVWSVWIMPNSAN-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.18
Rot. Bonds4

About methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate

methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate (PubChem CID 118529027) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
PubChem CID118529027
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Namemethyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate
SMILESCOC(=O)CC1(C)C(=O)N(C2CCN(C3(C)CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C27H32N2O3/c1-26(18-24(30)32-3)22-10-6-7-11-23(22)29(25(26)31)20-13-16-28(17-14-20)27(2)15-12-19-8-4-5-9-21(19)27/h4-11,20H,12-18H2,1-3H3
InChIKeyBMVWSVWIMPNSAN-UHFFFAOYSA-N
XLogP4.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate with MolForge

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Related Compounds

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
2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 75593274
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 90270623
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
(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
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
CID 158694819
N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90259426
2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 123473858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate?
The IUPAC name of methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate (CID 118529027) is methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate?
The canonical SMILES for methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate is COC(=O)CC1(C)C(=O)N(C2CCN(C3(C)CCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate?
The InChIKey is BMVWSVWIMPNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-26(18-24(30)32-3)22-10-6-7-11-23(22)29(25(26)31)20-13-16-28(17-14-20)27(2)15-12-19-8-4-5-9-21(19)27/h4-11,20H,12-18H2,1-3H3.
What are the key properties of methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate?
methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate has a molecular weight of 432.56 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-1-[1-(1-methyl-2,3-dihydroinden-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]acetate is sourced from PubChem (CID 118529027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).