N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide

C13H26N4O3 — CID 108525308

IUPACN'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H26N4O3/c1-11(2)20-10-4-5-14-12(18)13(19)15-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyLZVQOWRGGJNAEH-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.80
Rot. Bonds6

About N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide

N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 108525308) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID108525308
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H26N4O3/c1-11(2)20-10-4-5-14-12(18)13(19)15-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyLZVQOWRGGJNAEH-UHFFFAOYSA-N
XLogP-0.80
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide (CID 108525308) is N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide is CC(C)OCCCNC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is LZVQOWRGGJNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-11(2)20-10-4-5-14-12(18)13(19)15-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide?
N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 286.38 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 108525308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).