N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide

C18H28N4O2 — CID 108503431

IUPACN'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-15(2)22(14-16-6-4-3-5-7-16)18(24)17(23)20-10-13-21-11-8-19-9-12-21/h3-7,15,19H,8-14H2,1-2H3,(H,20,23)
InChIKeyGFKGLPYSWVILBL-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.44
Rot. Bonds6

About N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide

N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide (PubChem CID 108503431) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
PubChem CID108503431
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-15(2)22(14-16-6-4-3-5-7-16)18(24)17(23)20-10-13-21-11-8-19-9-12-21/h3-7,15,19H,8-14H2,1-2H3,(H,20,23)
InChIKeyGFKGLPYSWVILBL-UHFFFAOYSA-N
XLogP0.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide 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

N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
2-benzylsulfanyl-3-methyl-N-(2-piperazin-1-ylethyl)butanamide
CID 119447080
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
CID 108503523
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
2-phenyl-N-(2-piperazin-1-ylethyl)pentanamide
CID 119445557

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide (CID 108503431) is N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN1CCNCC1.
What is the InChIKey of N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide?
The InChIKey is GFKGLPYSWVILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)22(14-16-6-4-3-5-7-16)18(24)17(23)20-10-13-21-11-8-19-9-12-21/h3-7,15,19H,8-14H2,1-2H3,(H,20,23).
What are the key properties of N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide?
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide has a molecular weight of 332.45 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 108503431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).