2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C19H23N5O — CID 6865018

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccnc1
InChIInChI=1S/C19H23N5O/c25-19(22-21-14-18-7-4-8-20-13-18)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,22,25)/b21-14+
InChIKeyVLFVPLQEFQAYSK-KGENOOAVSA-N
MW337.43 g/mol
LogP1.35
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6865018) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6865018
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccnc1
InChIInChI=1S/C19H23N5O/c25-19(22-21-14-18-7-4-8-20-13-18)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,22,25)/b21-14+
InChIKeyVLFVPLQEFQAYSK-KGENOOAVSA-N
XLogP1.35
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6865018) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccnc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is VLFVPLQEFQAYSK-KGENOOAVSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(22-21-14-18-7-4-8-20-13-18)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,22,25)/b21-14+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 337.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6865018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).