ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate

C19H23NO6 — CID 3243095

IUPACethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)C(=O)CC1(CCN(C(C)=O)CC1)O2
InChIInChI=1S/C19H23NO6/c1-3-24-18(23)12-25-14-4-5-17-15(10-14)16(22)11-19(26-17)6-8-20(9-7-19)13(2)21/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyKRTDMKKWWSVCHE-UHFFFAOYSA-N
MW361.39 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate

ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate (PubChem CID 3243095) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate
PubChem CID3243095
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Nameethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)C(=O)CC1(CCN(C(C)=O)CC1)O2
InChIInChI=1S/C19H23NO6/c1-3-24-18(23)12-25-14-4-5-17-15(10-14)16(22)11-19(26-17)6-8-20(9-7-19)13(2)21/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyKRTDMKKWWSVCHE-UHFFFAOYSA-N
XLogP1.97
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
RS 116 0086
CID 10404587
1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
1-[2-(3-Piperidin-1-ylpropoxy)phenyl]ethanone
CID 2950982
ethyl 2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetate
CID 6618951
2-Phenyl-6-(6-piperidin-1-yl-hexyloxy)-chromen-4-one
CID 14982965
6-(6-Diethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982970
ethyl 7-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 44253506
6-(2-Piperidin-1-ylethoxy)chromen-4-one
CID 141195299
6-(3-Piperidin-1-ylpropoxy)chromen-4-one
CID 141195316
Chromenone VII
CID 141195342
6-(3-Morpholin-4-ylpropoxy)chromen-4-one
CID 141195411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate?
The IUPAC name of ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate (CID 3243095) is ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate?
The canonical SMILES for ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate is CCOC(=O)COc1ccc2c(c1)C(=O)CC1(CCN(C(C)=O)CC1)O2.
What is the InChIKey of ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate?
The InChIKey is KRTDMKKWWSVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-3-24-18(23)12-25-14-4-5-17-15(10-14)16(22)11-19(26-17)6-8-20(9-7-19)13(2)21/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate?
ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate has a molecular weight of 361.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetate is sourced from PubChem (CID 3243095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).