4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid

C17H21NO4 — CID 69076469

IUPAC4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
SMILESCC(C)N1CCC2(CC1)CC(=O)c1cc(C(=O)O)ccc1O2
InChIInChI=1S/C17H21NO4/c1-11(2)18-7-5-17(6-8-18)10-14(19)13-9-12(16(20)21)3-4-15(13)22-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyOVGOMFBBLZHWHG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.59
Rot. Bonds2

About 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid

4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid (PubChem CID 69076469) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
PubChem CID69076469
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
SMILESCC(C)N1CCC2(CC1)CC(=O)c1cc(C(=O)O)ccc1O2
InChIInChI=1S/C17H21NO4/c1-11(2)18-7-5-17(6-8-18)10-14(19)13-9-12(16(20)21)3-4-15(13)22-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyOVGOMFBBLZHWHG-UHFFFAOYSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
N-(oxan-2-yloxy)-3-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
CID 123526344
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
(E)-3-[4-oxo-1'-(1-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 86712830
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
CID 67986565

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid?
The IUPAC name of 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid (CID 69076469) is 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid.
What is the SMILES notation for 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid?
The canonical SMILES for 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid is CC(C)N1CCC2(CC1)CC(=O)c1cc(C(=O)O)ccc1O2.
What is the InChIKey of 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid?
The InChIKey is OVGOMFBBLZHWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(2)18-7-5-17(6-8-18)10-14(19)13-9-12(16(20)21)3-4-15(13)22-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid?
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid is sourced from PubChem (CID 69076469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).