2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide

C20H25N5O — CID 1185544

IUPAC2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C20H25N5O/c1-17(19-8-5-9-21-14-19)22-23-20(26)16-25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyZZDVTHPPLJMVKU-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.74
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide

2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide (PubChem CID 1185544) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
PubChem CID1185544
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C20H25N5O/c1-17(19-8-5-9-21-14-19)22-23-20(26)16-25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyZZDVTHPPLJMVKU-UHFFFAOYSA-N
XLogP1.74
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.74
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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Related Compounds

2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
2-(4-benzylpiperazin-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 4162502
2-(4-benzylpiperazin-1-yl)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 702764
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6384713
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 3508048
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide (CID 1185544) is 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide is CC(=NNC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The InChIKey is ZZDVTHPPLJMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-17(19-8-5-9-21-14-19)22-23-20(26)16-25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.74, 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-(1-pyridin-3-ylethylideneamino)acetamide is sourced from PubChem (CID 1185544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).