1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

C20H26N4O4 — CID 72889204

IUPAC1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOc1cccc(CN2CC(c3nc(CN4CCOCC4)no3)CCC2=O)c1
InChIInChI=1S/C20H26N4O4/c1-26-17-4-2-3-15(11-17)12-24-13-16(5-6-19(24)25)20-21-18(22-28-20)14-23-7-9-27-10-8-23/h2-4,11,16H,5-10,12-14H2,1H3
InChIKeyHBIPGMCOJSYGHH-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.82
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 72889204) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID72889204
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOc1cccc(CN2CC(c3nc(CN4CCOCC4)no3)CCC2=O)c1
InChIInChI=1S/C20H26N4O4/c1-26-17-4-2-3-15(11-17)12-24-13-16(5-6-19(24)25)20-21-18(22-28-20)14-23-7-9-27-10-8-23/h2-4,11,16H,5-10,12-14H2,1H3
InChIKeyHBIPGMCOJSYGHH-UHFFFAOYSA-N
XLogP1.82
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 72925631
(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 97149297
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
(5S)-1-cyclopropyl-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97143936
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469
(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455337

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 72889204) is 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is COc1cccc(CN2CC(c3nc(CN4CCOCC4)no3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is HBIPGMCOJSYGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-26-17-4-2-3-15(11-17)12-24-13-16(5-6-19(24)25)20-21-18(22-28-20)14-23-7-9-27-10-8-23/h2-4,11,16H,5-10,12-14H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 386.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 72889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).