6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one

C17H17Cl2NO3 — CID 6486690

IUPAC6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one
SMILESCC1CCCC(C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C17H17Cl2NO3/c1-9-4-3-5-10(2)20(9)16(21)13-7-11-6-12(18)8-14(19)15(11)23-17(13)22/h6-10H,3-5H2,1-2H3
InChIKeyFAHWTOURIJINNN-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.50
Rot. Bonds1

About 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one

6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one (PubChem CID 6486690) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one
PubChem CID6486690
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one
SMILESCC1CCCC(C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C17H17Cl2NO3/c1-9-4-3-5-10(2)20(9)16(21)13-7-11-6-12(18)8-14(19)15(11)23-17(13)22/h6-10H,3-5H2,1-2H3
InChIKeyFAHWTOURIJINNN-UHFFFAOYSA-N
XLogP4.50
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-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

CID 976955
CID 976955
CID 991766
CID 991766
CID 2909035
CID 2909035
CID 6470846
CID 6470846
CID 649652
CID 649652
CID 653775
CID 653775
CID 2294455
CID 2294455
CID 1143463
CID 1143463
CID 1260107
CID 1260107
CID 40667731
CID 40667731
CID 127042487
CID 127042487
CID 849949
CID 849949

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one (CID 6486690) is 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one is CC1CCCC(C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one?
The InChIKey is FAHWTOURIJINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-9-4-3-5-10(2)20(9)16(21)13-7-11-6-12(18)8-14(19)15(11)23-17(13)22/h6-10H,3-5H2,1-2H3.
What are the key properties of 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one?
6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one has a molecular weight of 354.23 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 6486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).