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

C12H18N4O2 — CID 126899475

IUPAC1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1noc(N2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-13-12(18-14-9)15-7-4-10(5-8-15)16-6-2-3-11(16)17/h10H,2-8H2,1H3
InChIKeyXOYYOQRFRVKPDN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds2

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

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899475) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899475
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1noc(N2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-13-12(18-14-9)15-7-4-10(5-8-15)16-6-2-3-11(16)17/h10H,2-8H2,1H3
InChIKeyXOYYOQRFRVKPDN-UHFFFAOYSA-N
XLogP0.97
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948474
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945532
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899475) is 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1noc(N2CCC(N3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XOYYOQRFRVKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-13-12(18-14-9)15-7-4-10(5-8-15)16-6-2-3-11(16)17/h10H,2-8H2,1H3.
What are the key properties of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).