10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one

C25H26N2O5S — CID 24747337

IUPAC10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H26N2O5S/c28-23-19-6-2-3-7-21(19)33(31,32)22-16-18(8-9-20(22)23)25(30)27-14-10-17(11-15-27)24(29)26-12-4-1-5-13-26/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyFUNWCOYFXAMTIT-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.93
Rot. Bonds2

About 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one

10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one (PubChem CID 24747337) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one.

Molecular Properties

Compound Name10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one
PubChem CID24747337
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H26N2O5S/c28-23-19-6-2-3-7-21(19)33(31,32)22-16-18(8-9-20(22)23)25(30)27-14-10-17(11-15-27)24(29)26-12-4-1-5-13-26/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyFUNWCOYFXAMTIT-UHFFFAOYSA-N
XLogP2.93
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one with MolForge

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Related Compounds

1-(9,10,10-trioxothioxanthene-3-carbonyl)piperidine-4-carboxylic acid
CID 119166682
3-(3-methylpiperidine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 51149503
3-[4-(methylamino)piperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one;hydrochloride
CID 119561026
3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2331605
3-(1,4-diazepane-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 119415498
3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one
CID 7689733
N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307091
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238
6-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one
CID 17401516
3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307108
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036

Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one?
The IUPAC name of 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one (CID 24747337) is 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one.
What is the SMILES notation for 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one?
The canonical SMILES for 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one is O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)ccc21.
What is the InChIKey of 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one?
The InChIKey is FUNWCOYFXAMTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c28-23-19-6-2-3-7-21(19)33(31,32)22-16-18(8-9-20(22)23)25(30)27-14-10-17(11-15-27)24(29)26-12-4-1-5-13-26/h2-3,6-9,16-17H,1,4-5,10-15H2.
What are the key properties of 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one?
10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one has a molecular weight of 466.56 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one is sourced from PubChem (CID 24747337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).