2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C22H24N4O2 — CID 47083014

IUPAC2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(14-17-15-23-20-9-5-4-8-19(17)20)24-16-22(28)26-12-10-25(11-13-26)18-6-2-1-3-7-18/h1-9,15,23H,10-14,16H2,(H,24,27)
InChIKeyIZWQLEFOWPYBRW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.18
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 47083014) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID47083014
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(14-17-15-23-20-9-5-4-8-19(17)20)24-16-22(28)26-12-10-25(11-13-26)18-6-2-1-3-7-18/h1-9,15,23H,10-14,16H2,(H,24,27)
InChIKeyIZWQLEFOWPYBRW-UHFFFAOYSA-N
XLogP2.18
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-[2-(1H-indol-3-yl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 109002314
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 39173364
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110996097
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 55923111

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 47083014) is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is IZWQLEFOWPYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(14-17-15-23-20-9-5-4-8-19(17)20)24-16-22(28)26-12-10-25(11-13-26)18-6-2-1-3-7-18/h1-9,15,23H,10-14,16H2,(H,24,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 47083014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).