2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide

C27H33N7O2 — CID 71770185

IUPAC2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H33N7O2/c35-26(21-33-16-14-32(15-17-33)18-23-8-2-1-3-9-23)30-31-27(36)22-34(19-24-10-4-6-12-28-24)20-25-11-5-7-13-29-25/h1-13H,14-22H2,(H,30,35)(H,31,36)
InChIKeyUBFPFEYJQOUETN-UHFFFAOYSA-N
MW487.61 g/mol
LogP1.44
Rot. Bonds10

About 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide

2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide (PubChem CID 71770185) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide
PubChem CID71770185
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H33N7O2/c35-26(21-33-16-14-32(15-17-33)18-23-8-2-1-3-9-23)30-31-27(36)22-34(19-24-10-4-6-12-28-24)20-25-11-5-7-13-29-25/h1-13H,14-22H2,(H,30,35)(H,31,36)
InChIKeyUBFPFEYJQOUETN-UHFFFAOYSA-N
XLogP1.44
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Benzyl-1-piperazinyl)-N'-(1-(4-pyridinyl)ethylidene)acetohydrazide
CID 9617944
N-(1-piperidinyl)-5,6-diphenyl-2-pyrazinecarboxamide
CID 9906800
Terephthalaldehyde, 4-I-4
CID 10388398
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
(2S)-2-amino-N-[(2S)-1-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 155543897
2-amino-N-[2-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 155546976
(2R)-2-amino-N-[(2R)-1-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 155565158
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
CID 6887785
(2R)-2-amino-N-[(2R)-1-[2-[4-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 91668304
2-(4-Benzyl-1-piperazinyl)-N'-(3-pyridinylmethylene)acetohydrazide
CID 6865018
N-[2-(Diethylamino)ethyl]-N'-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017344
N'-Benzyl-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017346

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide (CID 71770185) is 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide is O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide?
The InChIKey is UBFPFEYJQOUETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c35-26(21-33-16-14-32(15-17-33)18-23-8-2-1-3-9-23)30-31-27(36)22-34(19-24-10-4-6-12-28-24)20-25-11-5-7-13-29-25/h1-13H,14-22H2,(H,30,35)(H,31,36).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide?
2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide has a molecular weight of 487.61 g/mol, XLogP of 1.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide is sourced from PubChem (CID 71770185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).