1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C18H23NO4 — CID 108735814

IUPAC1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C18H23NO4/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-6-5-13(22-2)11-16(14)23-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyZXJLWIWVKUUVOB-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.82
Rot. Bonds3

About 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735814) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735814
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C18H23NO4/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-6-5-13(22-2)11-16(14)23-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyZXJLWIWVKUUVOB-UHFFFAOYSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810220
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758942
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758828
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429

Frequently Asked Questions

What is the IUPAC name of 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735814) is 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is CCCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2.
What is the InChIKey of 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZXJLWIWVKUUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-6-5-13(22-2)11-16(14)23-18/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 317.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).