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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Related Compounds

2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521395
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814133
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
1-[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810437

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).