methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate

C14H22N2O4 — CID 79937106

IUPACmethyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate
SMILESCCCN1CC(=O)N(C/C=C(/CC)C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O4/c1-4-7-15-9-13(18)16(10-12(15)17)8-6-11(5-2)14(19)20-3/h6H,4-5,7-10H2,1-3H3/b11-6-
InChIKeyDXDFSYBAOPDSKW-WDZFZDKYSA-N
MW282.34 g/mol
LogP0.58
Rot. Bonds6

About methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate

methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate (PubChem CID 79937106) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate
PubChem CID79937106
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate
SMILESCCCN1CC(=O)N(C/C=C(/CC)C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O4/c1-4-7-15-9-13(18)16(10-12(15)17)8-6-11(5-2)14(19)20-3/h6H,4-5,7-10H2,1-3H3/b11-6-
InChIKeyDXDFSYBAOPDSKW-WDZFZDKYSA-N
XLogP0.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.58
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 (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate (CID 79937106) is methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate is CCCN1CC(=O)N(C/C=C(/CC)C(=O)OC)CC1=O.
What is the InChIKey of methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate?
The InChIKey is DXDFSYBAOPDSKW-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-7-15-9-13(18)16(10-12(15)17)8-6-11(5-2)14(19)20-3/h6H,4-5,7-10H2,1-3H3/b11-6-.
What are the key properties of methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate?
methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2,5-dioxo-4-propylpiperazin-1-yl)-2-ethylbut-2-enoate is sourced from PubChem (CID 79937106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).