5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

C15H16ClNO5 — CID 154351154

IUPAC5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOc1cc(Cl)c2c(c1)OC1(CCN(C(=O)O)CC1)CC2=O
InChIInChI=1S/C15H16ClNO5/c1-21-9-6-10(16)13-11(18)8-15(22-12(13)7-9)2-4-17(5-3-15)14(19)20/h6-7H,2-5,8H2,1H3,(H,19,20)
InChIKeyAQMWYGFXTBXFNV-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.83
Rot. Bonds1

About 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 154351154) has the molecular formula C15H16ClNO5 and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID154351154
Molecular FormulaC15H16ClNO5
Molecular Weight325.75 g/mol
Exact Mass325.07
IUPAC Name5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOc1cc(Cl)c2c(c1)OC1(CCN(C(=O)O)CC1)CC2=O
InChIInChI=1S/C15H16ClNO5/c1-21-9-6-10(16)13-11(18)8-15(22-12(13)7-9)2-4-17(5-3-15)14(19)20/h6-7H,2-5,8H2,1H3,(H,19,20)
InChIKeyAQMWYGFXTBXFNV-UHFFFAOYSA-N
XLogP2.83
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726253
1'-[(E)-but-2-enoyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750369
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
5,7-dimethoxy-1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726292
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
5,7-dimethoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108780314
butyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726300
1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726326
3-tert-butyl-7-methoxy-5-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 91338082
2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108750406
1'-(2,4-difluorobenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726359

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (CID 154351154) is 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is COc1cc(Cl)c2c(c1)OC1(CCN(C(=O)O)CC1)CC2=O.
What is the InChIKey of 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is AQMWYGFXTBXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5/c1-21-9-6-10(16)13-11(18)8-15(22-12(13)7-9)2-4-17(5-3-15)14(19)20/h6-7H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 325.75 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 154351154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).