4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid

C15H15NO6 — CID 66782544

IUPAC4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C15H15NO6/c17-11-8-15(3-5-16(6-4-15)14(20)21)22-12-2-1-9(13(18)19)7-10(11)12/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyOFZBNCWLGZVPII-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.86
Rot. Bonds1

About 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid

4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid (PubChem CID 66782544) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid.

Molecular Properties

Compound Name4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
PubChem CID66782544
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C15H15NO6/c17-11-8-15(3-5-16(6-4-15)14(20)21)22-12-2-1-9(13(18)19)7-10(11)12/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyOFZBNCWLGZVPII-UHFFFAOYSA-N
XLogP1.86
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 66649469
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
6-bromo-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylic acid
CID 123756935
6-bromo-1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760349
1'-(1,3-benzodioxole-5-carbonyl)-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760343
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398

Frequently Asked Questions

What is the IUPAC name of 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid?
The IUPAC name of 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid (CID 66782544) is 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid.
What is the SMILES notation for 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid?
The canonical SMILES for 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid is O=C(O)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2.
What is the InChIKey of 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid?
The InChIKey is OFZBNCWLGZVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c17-11-8-15(3-5-16(6-4-15)14(20)21)22-12-2-1-9(13(18)19)7-10(11)12/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid?
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid is sourced from PubChem (CID 66782544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).