1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

C25H26N2O4 — CID 58349762

IUPAC1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESO=C(Cc1ccc2c(c1)CCC2=O)CN1CCC(N2C(=O)OCc3ccccc32)CC1
InChIInChI=1S/C25H26N2O4/c28-21(14-17-5-7-22-18(13-17)6-8-24(22)29)15-26-11-9-20(10-12-26)27-23-4-2-1-3-19(23)16-31-25(27)30/h1-5,7,13,20H,6,8-12,14-16H2
InChIKeyGOIMANLFGIHQLN-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 58349762) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
PubChem CID58349762
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESO=C(Cc1ccc2c(c1)CCC2=O)CN1CCC(N2C(=O)OCc3ccccc32)CC1
InChIInChI=1S/C25H26N2O4/c28-21(14-17-5-7-22-18(13-17)6-8-24(22)29)15-26-11-9-20(10-12-26)27-23-4-2-1-3-19(23)16-31-25(27)30/h1-5,7,13,20H,6,8-12,14-16H2
InChIKeyGOIMANLFGIHQLN-UHFFFAOYSA-N
XLogP3.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 58349762) is 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one is O=C(Cc1ccc2c(c1)CCC2=O)CN1CCC(N2C(=O)OCc3ccccc32)CC1.
What is the InChIKey of 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The InChIKey is GOIMANLFGIHQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c28-21(14-17-5-7-22-18(13-17)6-8-24(22)29)15-26-11-9-20(10-12-26)27-23-4-2-1-3-19(23)16-31-25(27)30/h1-5,7,13,20H,6,8-12,14-16H2.
What are the key properties of 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 418.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 58349762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).