2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one

C12H18N2O2 — CID 22256106

IUPAC2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4/h1,3,5-8H2,2,4H3
InChIKeyUYJCRMOPNVBSNM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.81
Rot. Bonds2

About 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one

2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 22256106) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID22256106
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4/h1,3,5-8H2,2,4H3
InChIKeyUYJCRMOPNVBSNM-UHFFFAOYSA-N
XLogP0.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one (CID 22256106) is 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one is C=C(C)C(=O)N1CCN(C(=O)C(=C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is UYJCRMOPNVBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4/h1,3,5-8H2,2,4H3.
What are the key properties of 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one?
2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 22256106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).