2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide

C12H22N4O2 — CID 171816274

IUPAC2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H22N4O2/c1-5-10(17)13-12(2,3)11(18)14-16-8-6-15(4)7-9-16/h5H,1,6-9H2,2-4H3,(H,13,17)(H,14,18)
InChIKeyAGTYMAVHZNLKRC-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.65
Rot. Bonds4

About 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide

2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide (PubChem CID 171816274) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
PubChem CID171816274
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H22N4O2/c1-5-10(17)13-12(2,3)11(18)14-16-8-6-15(4)7-9-16/h5H,1,6-9H2,2-4H3,(H,13,17)(H,14,18)
InChIKeyAGTYMAVHZNLKRC-UHFFFAOYSA-N
XLogP-0.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N1-(tert-butyl)-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45000132
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
N-[4-(2-methylpropanoyl)piperazin-1-yl]prop-2-enamide
CID 176637329
N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
CID 44996002
N-tert-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53518059
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63606034
4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide?
The IUPAC name of 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide (CID 171816274) is 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide?
The InChIKey is AGTYMAVHZNLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-10(17)13-12(2,3)11(18)14-16-8-6-15(4)7-9-16/h5H,1,6-9H2,2-4H3,(H,13,17)(H,14,18).
What are the key properties of 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide?
2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 171816274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).