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

C24H31N3O7 — CID 3238189

IUPACethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1
InChIInChI=1S/C24H31N3O7/c1-3-32-23(31)27-12-10-26(11-13-27)22(30)16-33-18-4-5-21-19(14-18)20(29)15-24(34-21)6-8-25(9-7-24)17(2)28/h4-5,14H,3,6-13,15-16H2,1-2H3
InChIKeyZYELQBWNTCMLJF-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.71
Rot. Bonds4

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

ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate (PubChem CID 3238189) has the molecular formula C24H31N3O7 and a molecular weight of 473.53 g/mol. Its IUPAC name is ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate
PubChem CID3238189
Molecular FormulaC24H31N3O7
Molecular Weight473.53 g/mol
Exact Mass473.22
IUPAC Nameethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1
InChIInChI=1S/C24H31N3O7/c1-3-32-23(31)27-12-10-26(11-13-27)22(30)16-33-18-4-5-21-19(14-18)20(29)15-24(34-21)6-8-25(9-7-24)17(2)28/h4-5,14H,3,6-13,15-16H2,1-2H3
InChIKeyZYELQBWNTCMLJF-UHFFFAOYSA-N
XLogP1.71
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
6-(6-Morpholin-4-yl-hexyloxy)-2-phenyl-chromen-4-one
CID 14982971
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-Morpholin-4-ylpropoxy)chromen-4-one
CID 141195411
Ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate
CID 2997943
2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]-N-(4-methylbenzyl)acetamide
CID 3236162
ethyl 6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 3239688
2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3242964
Ethyl [(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]acetate
CID 3243095
6-(2-morpholin-4-yl-2-oxoethoxy)spiro[chromene-2,1'-cyclohexan]-4(3H)-one
CID 3243855
1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[chromene-2,4'-piperidin]-4(3H)-one
CID 3245072

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate (CID 3238189) is ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1.
What is the InChIKey of ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate?
The InChIKey is ZYELQBWNTCMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7/c1-3-32-23(31)27-12-10-26(11-13-27)22(30)16-33-18-4-5-21-19(14-18)20(29)15-24(34-21)6-8-25(9-7-24)17(2)28/h4-5,14H,3,6-13,15-16H2,1-2H3.
What are the key properties of ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 3238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).