2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

C20H19ClN4O2 — CID 146091114

IUPAC2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cccc(Cl)c12)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C20H19ClN4O2/c21-15-4-3-6-16-19(15)14(13-23-16)12-18(26)24-8-10-25(11-9-24)20(27)17-5-1-2-7-22-17/h1-7,13,23H,8-12H2
InChIKeyWOMJRZPZUXCZQG-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 146091114) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID146091114
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cccc(Cl)c12)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C20H19ClN4O2/c21-15-4-3-6-16-19(15)14(13-23-16)12-18(26)24-8-10-25(11-9-24)20(27)17-5-1-2-7-22-17/h1-7,13,23H,8-12H2
InChIKeyWOMJRZPZUXCZQG-UHFFFAOYSA-N
XLogP2.74
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (CID 146091114) is 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WOMJRZPZUXCZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-15-4-3-6-16-19(15)14(13-23-16)12-18(26)24-8-10-25(11-9-24)20(27)17-5-1-2-7-22-17/h1-7,13,23H,8-12H2.
What are the key properties of 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 382.85 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146091114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).