N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide

C10H18N4O2 — CID 44996002

IUPACN'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H18N4O2/c1-3-4-11-9(15)10(16)12-14-7-5-13(2)6-8-14/h3H,1,4-8H2,2H3,(H,11,15)(H,12,16)
InChIKeyPDWCHBGJQHCZBI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.43
Rot. Bonds3

About N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide

N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide (PubChem CID 44996002) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
PubChem CID44996002
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H18N4O2/c1-3-4-11-9(15)10(16)12-14-7-5-13(2)6-8-14/h3H,1,4-8H2,2H3,(H,11,15)(H,12,16)
InChIKeyPDWCHBGJQHCZBI-UHFFFAOYSA-N
XLogP-1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide 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-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
N'-methyl-2-(prop-2-enylamino)-N-propylacetohydrazide
CID 88314717
N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 141361486
2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
CID 174293230
2-[amino-[(Z)-2-amino-3-(2-oxo-4-prop-2-enoylpiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
CID 174293241
2-Oxo-2-(4-prop-2-enylpiperazin-1-yl)acetohydrazide
CID 2756309
1-(4-Methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone
CID 28563516
2-[4-[2-Oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 30966930
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30986795
N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000062
N'-(4-methylpiperazin-1-yl)-N-propyloxamide
CID 45585081

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide (CID 44996002) is N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide?
The InChIKey is PDWCHBGJQHCZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-11-9(15)10(16)12-14-7-5-13(2)6-8-14/h3H,1,4-8H2,2H3,(H,11,15)(H,12,16).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide?
N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide has a molecular weight of 226.28 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide is sourced from PubChem (CID 44996002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).