1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone

C18H30N4O3S — CID 51134571

IUPAC1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCC(CN3CC(C)OC(C)C3)CC2)no1
InChIInChI=1S/C18H30N4O3S/c1-13-8-21(9-14(2)24-13)10-16-4-6-22(7-5-16)18(23)12-26-11-17-19-15(3)25-20-17/h13-14,16H,4-12H2,1-3H3
InChIKeyZXPOJZWNUDMRRX-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.96
Rot. Bonds6

About 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone (PubChem CID 51134571) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
PubChem CID51134571
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCC(CN3CC(C)OC(C)C3)CC2)no1
InChIInChI=1S/C18H30N4O3S/c1-13-8-21(9-14(2)24-13)10-16-4-6-22(7-5-16)18(23)12-26-11-17-19-15(3)25-20-17/h13-14,16H,4-12H2,1-3H3
InChIKeyZXPOJZWNUDMRRX-UHFFFAOYSA-N
XLogP1.96
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 55791592
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide
CID 55796271
3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46482052
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 46482252
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
CID 119867461
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 46489625
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone (CID 51134571) is 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone is Cc1nc(CSCC(=O)N2CCC(CN3CC(C)OC(C)C3)CC2)no1.
What is the InChIKey of 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The InChIKey is ZXPOJZWNUDMRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-13-8-21(9-14(2)24-13)10-16-4-6-22(7-5-16)18(23)12-26-11-17-19-15(3)25-20-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone has a molecular weight of 382.53 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 51134571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).