7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C19H23NO5 — CID 108735755

IUPAC7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C3CCCO3)CC1)CC2=O
InChIInChI=1S/C19H23NO5/c1-23-13-4-5-14-15(21)12-19(25-17(14)11-13)6-8-20(9-7-19)18(22)16-3-2-10-24-16/h4-5,11,16H,2-3,6-10,12H2,1H3
InChIKeyKAIDYNHDCDKJRM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.20
Rot. Bonds2

About 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735755) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735755
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C3CCCO3)CC1)CC2=O
InChIInChI=1S/C19H23NO5/c1-23-13-4-5-14-15(21)12-19(25-17(14)11-13)6-8-20(9-7-19)18(22)16-3-2-10-24-16/h4-5,11,16H,2-3,6-10,12H2,1H3
InChIKeyKAIDYNHDCDKJRM-UHFFFAOYSA-N
XLogP2.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735613
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
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'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735844
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
7-methoxy-1'-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 51583615
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735755) is 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(=O)C3CCCO3)CC1)CC2=O.
What is the InChIKey of 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is KAIDYNHDCDKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-23-13-4-5-14-15(21)12-19(25-17(14)11-13)6-8-20(9-7-19)18(22)16-3-2-10-24-16/h4-5,11,16H,2-3,6-10,12H2,1H3.
What are the key properties of 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 345.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).