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

C14H23N3O2 — CID 5355529

IUPAC(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCN1CCN(C(=O)/C=C/C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-5-13(18)15-7-8-16-9-11-17(12-10-16)14(19)6-4-2/h3-6H,7-12H2,1-2H3,(H,15,18)/b5-3+,6-4+
InChIKeyUEPDQEHSYFDDDK-GGWOSOGESA-N
MW265.36 g/mol
LogP0.40
Rot. Bonds5

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

(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide (PubChem CID 5355529) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
PubChem CID5355529
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCN1CCN(C(=O)/C=C/C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-5-13(18)15-7-8-16-9-11-17(12-10-16)14(19)6-4-2/h3-6H,7-12H2,1-2H3,(H,15,18)/b5-3+,6-4+
InChIKeyUEPDQEHSYFDDDK-GGWOSOGESA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide (CID 5355529) is (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide is C/C=C/C(=O)NCCN1CCN(C(=O)/C=C/C)CC1.
What is the InChIKey of (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide?
The InChIKey is UEPDQEHSYFDDDK-GGWOSOGESA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-13(18)15-7-8-16-9-11-17(12-10-16)14(19)6-4-2/h3-6H,7-12H2,1-2H3,(H,15,18)/b5-3+,6-4+.
What are the key properties of (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide?
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide is sourced from PubChem (CID 5355529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).