2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C15H18ClN3O — CID 39036168

IUPAC2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H18ClN3O/c1-17-6-8-18(9-7-17)15(20)11-19-5-4-12-2-3-13(16)10-14(12)19/h2-5,10H,6-9,11H2,1H3
InChIKeyDLXHEJRDTBKWKG-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.07
Rot. Bonds2

About 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 39036168) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID39036168
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H18ClN3O/c1-17-6-8-18(9-7-17)15(20)11-19-5-4-12-2-3-13(16)10-14(12)19/h2-5,10H,6-9,11H2,1H3
InChIKeyDLXHEJRDTBKWKG-UHFFFAOYSA-N
XLogP2.07
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 39036168) is 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DLXHEJRDTBKWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-17-6-8-18(9-7-17)15(20)11-19-5-4-12-2-3-13(16)10-14(12)19/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 291.78 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 39036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).