1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one

C14H24N2O2 — CID 77298926

IUPAC1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESCC1CCN(C(=O)C=CCN2CCOCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-13-4-7-16(8-5-13)14(17)3-2-6-15-9-11-18-12-10-15/h2-3,13H,4-12H2,1H3
InChIKeyDNJBBKMNIVYAGT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.13
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one (PubChem CID 77298926) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
PubChem CID77298926
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESCC1CCN(C(=O)C=CCN2CCOCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-13-4-7-16(8-5-13)14(17)3-2-6-15-9-11-18-12-10-15/h2-3,13H,4-12H2,1H3
InChIKeyDNJBBKMNIVYAGT-UHFFFAOYSA-N
XLogP1.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.13
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 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one (CID 77298926) is 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one is CC1CCN(C(=O)C=CCN2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
The InChIKey is DNJBBKMNIVYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13-4-7-16(8-5-13)14(17)3-2-6-15-9-11-18-12-10-15/h2-3,13H,4-12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one?
1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 77298926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).