1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one

C22H29N3O5 — CID 3245072

IUPAC1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2
InChIInChI=1S/C22H29N3O5/c1-16(26)24-7-5-22(6-8-24)14-19(27)18-13-17(3-4-20(18)30-22)29-15-21(28)25-11-9-23(2)10-12-25/h3-4,13H,5-12,14-15H2,1-2H3
InChIKeyDAGKWGGLFSGSPX-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.19
Rot. Bonds3

About 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 3245072) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID3245072
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2
InChIInChI=1S/C22H29N3O5/c1-16(26)24-7-5-22(6-8-24)14-19(27)18-13-17(3-4-20(18)30-22)29-15-21(28)25-11-9-23(2)10-12-25/h3-4,13H,5-12,14-15H2,1-2H3
InChIKeyDAGKWGGLFSGSPX-UHFFFAOYSA-N
XLogP1.19
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11186314
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11461396
6-(6-Morpholin-4-yl-hexyloxy)-2-phenyl-chromen-4-one
CID 14982971
2-Cyclohexyl-6-(6-morpholin-4-yl-hexyloxy)-chromen-4-one
CID 14983045
2,7-Bis[2-(diethylamino)ethoxy]xanthen-9-one
CID 57401542
6-(2-Piperidin-1-ylethoxy)chromen-4-one
CID 141195299
6-(3-Piperidin-1-ylpropoxy)chromen-4-one
CID 141195316
6-(4-Morpholin-4-ylbutoxy)chromen-4-one
CID 141195395
6-(3-Morpholin-4-ylpropoxy)chromen-4-one
CID 141195411
2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]-N-(4-methylbenzyl)acetamide
CID 3236162
4-[2-[(1'-acetyl-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)oxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
CID 3238189

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 3245072) is 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one is CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2.
What is the InChIKey of 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DAGKWGGLFSGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-16(26)24-7-5-22(6-8-24)14-19(27)18-13-17(3-4-20(18)30-22)29-15-21(28)25-11-9-23(2)10-12-25/h3-4,13H,5-12,14-15H2,1-2H3.
What are the key properties of 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 415.49 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 3245072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).