2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H25N5O — CID 109002295

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CNCCc1c[nH]c2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O/c27-21(26-13-11-25(12-14-26)20-7-3-4-9-23-20)16-22-10-8-17-15-24-19-6-2-1-5-18(17)19/h1-7,9,15,22,24H,8,10-14,16H2
InChIKeyMQRVKVJJKBNLDB-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.04
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 109002295) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID109002295
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CNCCc1c[nH]c2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O/c27-21(26-13-11-25(12-14-26)20-7-3-4-9-23-20)16-22-10-8-17-15-24-19-6-2-1-5-18(17)19/h1-7,9,15,22,24H,8,10-14,16H2
InChIKeyMQRVKVJJKBNLDB-UHFFFAOYSA-N
XLogP2.04
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002291
2-[2-(1H-indol-3-yl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 109002314
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38094187
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
3-(1H-indol-3-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 109002295) is 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CNCCc1c[nH]c2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MQRVKVJJKBNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(26-13-11-25(12-14-26)20-7-3-4-9-23-20)16-22-10-8-17-15-24-19-6-2-1-5-18(17)19/h1-7,9,15,22,24H,8,10-14,16H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).