1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione

C15H15ClN2O2 — CID 113208208

IUPAC1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H15ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(19)15(20)18-6-2-1-3-7-18/h4-5,8-9,17H,1-3,6-7H2
InChIKeyANANHDYTYBIPTI-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.02
Rot. Bonds2

About 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione

1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 113208208) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID113208208
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H15ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(19)15(20)18-6-2-1-3-7-18/h4-5,8-9,17H,1-3,6-7H2
InChIKeyANANHDYTYBIPTI-UHFFFAOYSA-N
XLogP3.02
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione 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-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 45271900
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
CID 113205789
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
1-(4-benzoylpiperazin-1-yl)-2-(5,6-dichloro-1H-indol-3-yl)ethane-1,2-dione
CID 506235
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42650356
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
3-[2-(azepan-1-yl)-2-oxoacetyl]-N-[1-(2,4-dimethylphenyl)ethyl]-1H-indole-5-carboxamide
CID 50846882

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione (CID 113208208) is 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is ANANHDYTYBIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(19)15(20)18-6-2-1-3-7-18/h4-5,8-9,17H,1-3,6-7H2.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 290.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 113208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).