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

C18H20Cl3NO3 — CID 108758629

IUPAC6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(C)(CCl)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2
InChIInChI=1S/C18H20Cl3NO3/c1-17(2,10-19)16(24)22-5-3-18(4-6-22)9-14(23)12-7-11(20)8-13(21)15(12)25-18/h7-8H,3-6,9-10H2,1-2H3
InChIKeyOLTNGQWVMAWZFG-UHFFFAOYSA-N
MW404.72 g/mol
LogP4.58
Rot. Bonds2

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

6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758629) has the molecular formula C18H20Cl3NO3 and a molecular weight of 404.72 g/mol. Its IUPAC name is 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758629
Molecular FormulaC18H20Cl3NO3
Molecular Weight404.72 g/mol
Exact Mass403.05
IUPAC Name6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(C)(CCl)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2
InChIInChI=1S/C18H20Cl3NO3/c1-17(2,10-19)16(24)22-5-3-18(4-6-22)9-14(23)12-7-11(20)8-13(21)15(12)25-18/h7-8H,3-6,9-10H2,1-2H3
InChIKeyOLTNGQWVMAWZFG-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.72
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
6,8-dichloro-1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810218
6,8-dichloro-1'-(4-methyl-3,5-dinitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735508
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758629) is 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CC(C)(CCl)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2.
What is the InChIKey of 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is OLTNGQWVMAWZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3NO3/c1-17(2,10-19)16(24)22-5-3-18(4-6-22)9-14(23)12-7-11(20)8-13(21)15(12)25-18/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 404.72 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).