2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

C24H31N3O3 — CID 125026040

IUPAC2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-c2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-10-12-27(13-11-18)24(28)17-26-14-15-30-23(16-26)22-5-3-4-21(25-22)19-6-8-20(29-2)9-7-19/h3-9,18,23H,10-17H2,1-2H3/t23-/m1/s1
InChIKeyZQRQIOPSUDNHOO-HSZRJFAPSA-N
MW409.53 g/mol
LogP3.39
Rot. Bonds5

About 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 125026040) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID125026040
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-c2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-10-12-27(13-11-18)24(28)17-26-14-15-30-23(16-26)22-5-3-4-21(25-22)19-6-8-20(29-2)9-7-19/h3-9,18,23H,10-17H2,1-2H3/t23-/m1/s1
InChIKeyZQRQIOPSUDNHOO-HSZRJFAPSA-N
XLogP3.39
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 125026040) is 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is COc1ccc(-c2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)cc1.
What is the InChIKey of 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZQRQIOPSUDNHOO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-10-12-27(13-11-18)24(28)17-26-14-15-30-23(16-26)22-5-3-4-21(25-22)19-6-8-20(29-2)9-7-19/h3-9,18,23H,10-17H2,1-2H3/t23-/m1/s1.
What are the key properties of 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 409.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 125026040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).