methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate

C14H24N2O3 — CID 129141607

IUPACmethyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate
SMILESC=CC(=O)N1C(C)(C)CN(CC(=O)OC)CC1(C)C
InChIInChI=1S/C14H24N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5/h7H,1,8-10H2,2-6H3
InChIKeyULGREXZEHZCPTH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate

methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate (PubChem CID 129141607) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate
PubChem CID129141607
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate
SMILESC=CC(=O)N1C(C)(C)CN(CC(=O)OC)CC1(C)C
InChIInChI=1S/C14H24N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5/h7H,1,8-10H2,2-6H3
InChIKeyULGREXZEHZCPTH-UHFFFAOYSA-N
XLogP1.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate (CID 129141607) is methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate is C=CC(=O)N1C(C)(C)CN(CC(=O)OC)CC1(C)C.
What is the InChIKey of methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The InChIKey is ULGREXZEHZCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5/h7H,1,8-10H2,2-6H3.
What are the key properties of methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate has a molecular weight of 268.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate is sourced from PubChem (CID 129141607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).