(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one

C15H26N2O2 — CID 130383660

IUPAC(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESCCC1CCN(C(=O)/C=C/CN2CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-2-14-5-8-17(9-6-14)15(18)4-3-7-16-10-12-19-13-11-16/h3-4,14H,2,5-13H2,1H3/b4-3+
InChIKeyFUGNTWKKMPDNLC-ONEGZZNKSA-N
MW266.38 g/mol
LogP1.52
Rot. Bonds4

About (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one

(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one (PubChem CID 130383660) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
PubChem CID130383660
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESCCC1CCN(C(=O)/C=C/CN2CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-2-14-5-8-17(9-6-14)15(18)4-3-7-16-10-12-19-13-11-16/h3-4,14H,2,5-13H2,1H3/b4-3+
InChIKeyFUGNTWKKMPDNLC-ONEGZZNKSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
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)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one (CID 130383660) is (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one is CCC1CCN(C(=O)/C=C/CN2CCOCC2)CC1.
What is the InChIKey of (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The InChIKey is FUGNTWKKMPDNLC-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-14-5-8-17(9-6-14)15(18)4-3-7-16-10-12-19-13-11-16/h3-4,14H,2,5-13H2,1H3/b4-3+.
What are the key properties of (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
(E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 130383660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).