2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid

C19H23N3O4 — CID 175526670

IUPAC2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CCc3cc(N4CCC(=O)NC4=O)ccc32)CC1
InChIInChI=1S/C19H23N3O4/c23-16-4-8-22(18(26)20-16)14-1-2-15-13(11-14)3-5-19(15)6-9-21(10-7-19)12-17(24)25/h1-2,11H,3-10,12H2,(H,24,25)(H,20,23,26)
InChIKeyGCJDPHQJPBWBQA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.50
Rot. Bonds3

About 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid

2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid (PubChem CID 175526670) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
PubChem CID175526670
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CCc3cc(N4CCC(=O)NC4=O)ccc32)CC1
InChIInChI=1S/C19H23N3O4/c23-16-4-8-22(18(26)20-16)14-1-2-15-13(11-14)3-5-19(15)6-9-21(10-7-19)12-17(24)25/h1-2,11H,3-10,12H2,(H,24,25)(H,20,23,26)
InChIKeyGCJDPHQJPBWBQA-UHFFFAOYSA-N
XLogP1.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid (CID 175526670) is 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid is O=C(O)CN1CCC2(CCc3cc(N4CCC(=O)NC4=O)ccc32)CC1.
What is the InChIKey of 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid?
The InChIKey is GCJDPHQJPBWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-16-4-8-22(18(26)20-16)14-1-2-15-13(11-14)3-5-19(15)6-9-21(10-7-19)12-17(24)25/h1-2,11H,3-10,12H2,(H,24,25)(H,20,23,26).
What are the key properties of 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid?
2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 175526670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).