3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one

C11H18N4O2 — CID 114186711

IUPAC3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
SMILESCNC1CCCN(CCc2noc(C)n2)C1=O
InChIInChI=1S/C11H18N4O2/c1-8-13-10(14-17-8)5-7-15-6-3-4-9(12-2)11(15)16/h9,12H,3-7H2,1-2H3
InChIKeyDHAKSPVXIIVZEI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.13
Rot. Bonds4

About 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one

3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one (PubChem CID 114186711) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
PubChem CID114186711
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
SMILESCNC1CCCN(CCc2noc(C)n2)C1=O
InChIInChI=1S/C11H18N4O2/c1-8-13-10(14-17-8)5-7-15-6-3-4-9(12-2)11(15)16/h9,12H,3-7H2,1-2H3
InChIKeyDHAKSPVXIIVZEI-UHFFFAOYSA-N
XLogP0.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 114185131
3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106418197
3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106421910
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(methylamino)piperidin-2-one
CID 83114919
9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 106421134
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
CID 113464183
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one?
The IUPAC name of 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one (CID 114186711) is 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one is CNC1CCCN(CCc2noc(C)n2)C1=O.
What is the InChIKey of 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one?
The InChIKey is DHAKSPVXIIVZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-13-10(14-17-8)5-7-15-6-3-4-9(12-2)11(15)16/h9,12H,3-7H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one?
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 114186711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).