4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one

C18H26N2O3 — CID 115067815

IUPAC4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
SMILESCOc1cccc(CN2CC(C)(C3CCNCC3)OCC2=O)c1
InChIInChI=1S/C18H26N2O3/c1-18(15-6-8-19-9-7-15)13-20(17(21)12-23-18)11-14-4-3-5-16(10-14)22-2/h3-5,10,15,19H,6-9,11-13H2,1-2H3
InChIKeyLIOJKIIGNZRVNT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.81
Rot. Bonds4

About 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one

4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one (PubChem CID 115067815) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
PubChem CID115067815
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
SMILESCOc1cccc(CN2CC(C)(C3CCNCC3)OCC2=O)c1
InChIInChI=1S/C18H26N2O3/c1-18(15-6-8-19-9-7-15)13-20(17(21)12-23-18)11-14-4-3-5-16(10-14)22-2/h3-5,10,15,19H,6-9,11-13H2,1-2H3
InChIKeyLIOJKIIGNZRVNT-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067984
2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97282409
2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidin-1-yl]acetamide
CID 124950770
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
CID 115060369
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64879252

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one (CID 115067815) is 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one is COc1cccc(CN2CC(C)(C3CCNCC3)OCC2=O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The InChIKey is LIOJKIIGNZRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(15-6-8-19-9-7-15)13-20(17(21)12-23-18)11-14-4-3-5-16(10-14)22-2/h3-5,10,15,19H,6-9,11-13H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one?
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one is sourced from PubChem (CID 115067815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).