6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C16H17Cl2NO4 — CID 44769702

IUPAC6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2
InChIInChI=1S/C16H17Cl2NO4/c1-22-9-14(21)19-4-2-16(3-5-19)8-13(20)11-6-10(17)7-12(18)15(11)23-16/h6-7H,2-5,8-9H2,1H3
InChIKeyQZCQXHYXGRPLQD-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.97
Rot. Bonds2

About 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44769702) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44769702
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2
InChIInChI=1S/C16H17Cl2NO4/c1-22-9-14(21)19-4-2-16(3-5-19)8-13(20)11-6-10(17)7-12(18)15(11)23-16/h6-7H,2-5,8-9H2,1H3
InChIKeyQZCQXHYXGRPLQD-UHFFFAOYSA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-dichloro-1'-(2-methoxyacetyl)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

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44769702) is 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2.
What is the InChIKey of 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QZCQXHYXGRPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c1-22-9-14(21)19-4-2-16(3-5-19)8-13(20)11-6-10(17)7-12(18)15(11)23-16/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 358.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-(2-methoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44769702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).