1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one

C20H26N2O4 — CID 50846376

IUPAC1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26N2O4/c1-2-19(23)21-9-7-16(8-10-21)15-26-18-6-4-3-5-17(18)20(24)22-11-13-25-14-12-22/h2-6,16H,1,7-15H2
InChIKeyTXYNAAHZEKVOJB-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.96
Rot. Bonds5

About 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one

1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 50846376) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID50846376
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26N2O4/c1-2-19(23)21-9-7-16(8-10-21)15-26-18-6-4-3-5-17(18)20(24)22-11-13-25-14-12-22/h2-6,16H,1,7-15H2
InChIKeyTXYNAAHZEKVOJB-UHFFFAOYSA-N
XLogP1.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one (CID 50846376) is 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is TXYNAAHZEKVOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-19(23)21-9-7-16(8-10-21)15-26-18-6-4-3-5-17(18)20(24)22-11-13-25-14-12-22/h2-6,16H,1,7-15H2.
What are the key properties of 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 358.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 50846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).