1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C19H28N2O3 — CID 70777291

IUPAC1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(OCC2CCCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-16-4-6-18(7-5-16)24-15-17-3-2-8-21(13-17)19(22)14-20-9-11-23-12-10-20/h4-7,17H,2-3,8-15H2,1H3
InChIKeyIYKAZOQXLNEEKI-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.94
Rot. Bonds5

About 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 70777291) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID70777291
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(OCC2CCCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-16-4-6-18(7-5-16)24-15-17-3-2-8-21(13-17)19(22)14-20-9-11-23-12-10-20/h4-7,17H,2-3,8-15H2,1H3
InChIKeyIYKAZOQXLNEEKI-UHFFFAOYSA-N
XLogP1.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 70777291) is 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(OCC2CCCN(C(=O)CN3CCOCC3)C2)cc1.
What is the InChIKey of 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is IYKAZOQXLNEEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-16-4-6-18(7-5-16)24-15-17-3-2-8-21(13-17)19(22)14-20-9-11-23-12-10-20/h4-7,17H,2-3,8-15H2,1H3.
What are the key properties of 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 332.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 70777291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).