2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride

C11H21ClN4O2 — CID 119916484

IUPAC2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)CN1CCNCC1C.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-3-4-13-11(17)14-10(16)8-15-6-5-12-7-9(15)2;/h3,9,12H,1,4-8H2,2H3,(H2,13,14,16,17);1H
InChIKeyVADIGBLPTCCJFJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP-0.29
Rot. Bonds4

About 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride

2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride (PubChem CID 119916484) has the molecular formula C11H21ClN4O2 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
PubChem CID119916484
Molecular FormulaC11H21ClN4O2
Molecular Weight276.77 g/mol
Exact Mass276.14
IUPAC Name2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)CN1CCNCC1C.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-3-4-13-11(17)14-10(16)8-15-6-5-12-7-9(15)2;/h3,9,12H,1,4-8H2,2H3,(H2,13,14,16,17);1H
InChIKeyVADIGBLPTCCJFJ-UHFFFAOYSA-N
XLogP-0.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673671
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704951
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
2-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370158
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916512
2-(2,5-diethylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 64979203
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride (CID 119916484) is 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride is C=CCNC(=O)NC(=O)CN1CCNCC1C.Cl.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The InChIKey is VADIGBLPTCCJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2.ClH/c1-3-4-13-11(17)14-10(16)8-15-6-5-12-7-9(15)2;/h3,9,12H,1,4-8H2,2H3,(H2,13,14,16,17);1H.
What are the key properties of 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119916484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).