4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one

C24H25N3O4 — CID 53012277

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
SMILESO=C(c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2)N1CCCCC1
InChIInChI=1S/C24H25N3O4/c28-22(26-13-10-17-6-2-3-7-19(17)26)15-27-20-14-18(8-9-21(20)31-16-23(27)29)24(30)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13,15-16H2
InChIKeyKBZMWXHVEREBPI-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.63
Rot. Bonds3

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one (PubChem CID 53012277) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
PubChem CID53012277
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
SMILESO=C(c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2)N1CCCCC1
InChIInChI=1S/C24H25N3O4/c28-22(26-13-10-17-6-2-3-7-19(17)26)15-27-20-14-18(8-9-21(20)31-16-23(27)29)24(30)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13,15-16H2
InChIKeyKBZMWXHVEREBPI-UHFFFAOYSA-N
XLogP2.63
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one (CID 53012277) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one is O=C(c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2)N1CCCCC1.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one?
The InChIKey is KBZMWXHVEREBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(26-13-10-17-6-2-3-7-19(17)26)15-27-20-14-18(8-9-21(20)31-16-23(27)29)24(30)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13,15-16H2.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one has a molecular weight of 419.48 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 53012277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).