2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate

C14H22N2O3 — CID 6283253

IUPAC2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN1CCN(C(=O)/C=C/C)CC1
InChIInChI=1S/C14H22N2O3/c1-3-5-13(17)16-9-7-15(8-10-16)11-12-19-14(18)6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+
InChIKeyIQWHNNBAGUABQB-GGWOSOGESA-N
MW266.34 g/mol
LogP0.83
Rot. Bonds5

About 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate

2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate (PubChem CID 6283253) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate.

Molecular Properties

Compound Name2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate
PubChem CID6283253
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN1CCN(C(=O)/C=C/C)CC1
InChIInChI=1S/C14H22N2O3/c1-3-5-13(17)16-9-7-15(8-10-16)11-12-19-14(18)6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+
InChIKeyIQWHNNBAGUABQB-GGWOSOGESA-N
XLogP0.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.83
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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Related Compounds

2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215
3-[4-[(E)-but-2-enoyl]piperazin-1-yl]propanenitrile
CID 115347860
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515
2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate
CID 149063981
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
(E)-4-(4-butylpiperazin-1-yl)-4-oxobut-2-enoic acid
CID 20795310
3-(1,3-oxazinan-3-yl)propyl but-2-enoate
CID 69421354
2-[2-[2-[2-[(E)-3-(4-methylpiperazin-1-yl)prop-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl (E)-but-2-enoate
CID 176880631
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 85471584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate?
The IUPAC name of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate (CID 6283253) is 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate.
What is the SMILES notation for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate?
The canonical SMILES for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate is C/C=C/C(=O)OCCN1CCN(C(=O)/C=C/C)CC1.
What is the InChIKey of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate?
The InChIKey is IQWHNNBAGUABQB-GGWOSOGESA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-5-13(17)16-9-7-15(8-10-16)11-12-19-14(18)6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+.
What are the key properties of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate?
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate is sourced from PubChem (CID 6283253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).