4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C16H24N4O4 — CID 71801329

IUPAC4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCc1noc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C16H24N4O4/c1-19-10-12(9-14(19)21)16(22)20-6-3-11(4-7-20)15-17-13(18-24-15)5-8-23-2/h11-12H,3-10H2,1-2H3
InChIKeyKYYVOLYIALDODF-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.44
Rot. Bonds5

About 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 71801329) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID71801329
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCc1noc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C16H24N4O4/c1-19-10-12(9-14(19)21)16(22)20-6-3-11(4-7-20)15-17-13(18-24-15)5-8-23-2/h11-12H,3-10H2,1-2H3
InChIKeyKYYVOLYIALDODF-UHFFFAOYSA-N
XLogP0.44
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
CID 136578688
3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984688
1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 71801323
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70778696
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
6-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70709707

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 71801329) is 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is COCCc1noc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1.
What is the InChIKey of 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is KYYVOLYIALDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-19-10-12(9-14(19)21)16(22)20-6-3-11(4-7-20)15-17-13(18-24-15)5-8-23-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 336.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71801329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).