N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide

C13H22N4O2 — CID 108516873

IUPACN-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-6-16(7-5-2)13(19)12(18)14-17-10-8-15(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,14,18)
InChIKeyAGNDSFGKTKYJSU-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.53
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide

N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516873) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516873
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-6-16(7-5-2)13(19)12(18)14-17-10-8-15(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,14,18)
InChIKeyAGNDSFGKTKYJSU-UHFFFAOYSA-N
XLogP-0.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516873) is N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is AGNDSFGKTKYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-6-16(7-5-2)13(19)12(18)14-17-10-8-15(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,14,18).
What are the key properties of N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide?
N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 266.34 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).