N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide

C10H20N4O — CID 83015252

IUPACN-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O/c1-3-4-11-9-10(15)12-14-7-5-13(2)6-8-14/h3,11H,1,4-9H2,2H3,(H,12,15)
InChIKeyPJUHZQQLOIZWLC-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.96
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide

N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 83015252) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide
PubChem CID83015252
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20N4O/c1-3-4-11-9-10(15)12-14-7-5-13(2)6-8-14/h3,11H,1,4-9H2,2H3,(H,12,15)
InChIKeyPJUHZQQLOIZWLC-UHFFFAOYSA-N
XLogP-0.96
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide (CID 83015252) is N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is PJUHZQQLOIZWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-4-11-9-10(15)12-14-7-5-13(2)6-8-14/h3,11H,1,4-9H2,2H3,(H,12,15).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide?
N-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.96, 5 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)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 83015252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).