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

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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).