[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone

C17H24N4O3 — CID 89110023

IUPAC[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCn1cc(C(=O)N2CCN(C)CC2)c2cc(NO)ccc21
InChIInChI=1S/C17H24N4O3/c1-19-5-7-20(8-6-19)17(22)15-12-21(9-10-24-2)16-4-3-13(18-23)11-14(15)16/h3-4,11-12,18,23H,5-10H2,1-2H3
InChIKeyINIFQYXSTQGQMZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.48
Rot. Bonds5

About [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 89110023) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID89110023
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCn1cc(C(=O)N2CCN(C)CC2)c2cc(NO)ccc21
InChIInChI=1S/C17H24N4O3/c1-19-5-7-20(8-6-19)17(22)15-12-21(9-10-24-2)16-4-3-13(18-23)11-14(15)16/h3-4,11-12,18,23H,5-10H2,1-2H3
InChIKeyINIFQYXSTQGQMZ-UHFFFAOYSA-N
XLogP1.48
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 89110023) is [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone is COCCn1cc(C(=O)N2CCN(C)CC2)c2cc(NO)ccc21.
What is the InChIKey of [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is INIFQYXSTQGQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-5-7-20(8-6-19)17(22)15-12-21(9-10-24-2)16-4-3-13(18-23)11-14(15)16/h3-4,11-12,18,23H,5-10H2,1-2H3.
What are the key properties of [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 89110023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).