2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C21H23N5O2 — CID 1034069

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H23N5O2/c27-19(23-24-20-17-8-4-5-9-18(17)22-21(20)28)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-9,22,28H,10-15H2/b24-23+
InChIKeyREUZGBAVPYQCEW-WCWDXBQESA-N
MW377.45 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 1034069) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID1034069
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H23N5O2/c27-19(23-24-20-17-8-4-5-9-18(17)22-21(20)28)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-9,22,28H,10-15H2/b24-23+
InChIKeyREUZGBAVPYQCEW-WCWDXBQESA-N
XLogP3.30
TPSA84.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 1034069) is 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is REUZGBAVPYQCEW-WCWDXBQESA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(23-24-20-17-8-4-5-9-18(17)22-21(20)28)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-9,22,28H,10-15H2/b24-23+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 1034069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).