2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

C15H18ClN3O — CID 110849782

IUPAC2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H18ClN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyPOLFHILLABVBEW-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.14
Rot. Bonds2

About 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110849782) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110849782
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H18ClN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyPOLFHILLABVBEW-UHFFFAOYSA-N
XLogP2.14
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 146106122
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
CID 123386544
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110849782) is 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is POLFHILLABVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 291.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110849782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).