(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide

C14H27N3O2 — CID 134456965

IUPAC(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide
SMILESCOCCN1CCN(C/C=C/C(=O)NC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2)15-14(18)5-4-6-16-7-9-17(10-8-16)11-12-19-3/h4-5,13H,6-12H2,1-3H3,(H,15,18)/b5-4+
InChIKeyFVWZMFKPZGUQKG-SNAWJCMRSA-N
MW269.39 g/mol
LogP0.33
Rot. Bonds7

About (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide

(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide (PubChem CID 134456965) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide
PubChem CID134456965
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide
SMILESCOCCN1CCN(C/C=C/C(=O)NC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2)15-14(18)5-4-6-16-7-9-17(10-8-16)11-12-19-3/h4-5,13H,6-12H2,1-3H3,(H,15,18)/b5-4+
InChIKeyFVWZMFKPZGUQKG-SNAWJCMRSA-N
XLogP0.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
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 (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide (CID 134456965) is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide is COCCN1CCN(C/C=C/C(=O)NC(C)C)CC1.
What is the InChIKey of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide?
The InChIKey is FVWZMFKPZGUQKG-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2)15-14(18)5-4-6-16-7-9-17(10-8-16)11-12-19-3/h4-5,13H,6-12H2,1-3H3,(H,15,18)/b5-4+.
What are the key properties of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide?
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide has a molecular weight of 269.39 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 134456965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).