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

C24H40N4O6 — CID 158328591

IUPACmethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 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.C=CC(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C14H24N2O3.C10H16N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5;1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h7H,1,8-10H2,2-6H3;3H,1,4-8H2,2H3
InChIKeyGPSKFGWUSVLSMY-UHFFFAOYSA-N
MW480.61 g/mol
LogP0.54
Rot. Bonds6

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

methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate (PubChem CID 158328591) has the molecular formula C24H40N4O6 and a molecular weight of 480.61 g/mol. Its IUPAC name is methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate
PubChem CID158328591
Molecular FormulaC24H40N4O6
Molecular Weight480.61 g/mol
Exact Mass480.29
IUPAC Namemethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 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.C=CC(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C14H24N2O3.C10H16N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5;1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h7H,1,8-10H2,2-6H3;3H,1,4-8H2,2H3
InChIKeyGPSKFGWUSVLSMY-UHFFFAOYSA-N
XLogP0.54
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate (CID 158328591) is methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;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.C=CC(=O)N1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
The InChIKey is GPSKFGWUSVLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.C10H16N2O3/c1-7-11(17)16-13(2,3)9-15(8-12(18)19-6)10-14(16,4)5;1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h7H,1,8-10H2,2-6H3;3H,1,4-8H2,2H3.
What are the key properties of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate?
methyl 2-(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 480.61 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate;methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate is sourced from PubChem (CID 158328591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).