4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one

C18H28N4O3 — CID 163200061

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESCc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)no1
InChIInChI=1S/C18H28N4O3/c1-12-11-24-7-6-21(12)14-9-17(19-18(23)10-14)22-5-3-4-16(22)15-8-13(2)25-20-15/h8,12,14,16-17H,3-7,9-11H2,1-2H3,(H,19,23)/t12-,14?,16+,17?/m1/s1
InChIKeyDGPXXFNVICACCO-LMEGTBPZSA-N
MW348.45 g/mol
LogP1.45
Rot. Bonds3

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 163200061) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID163200061
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESCc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)no1
InChIInChI=1S/C18H28N4O3/c1-12-11-24-7-6-21(12)14-9-17(19-18(23)10-14)22-5-3-4-16(22)15-8-13(2)25-20-15/h8,12,14,16-17H,3-7,9-11H2,1-2H3,(H,19,23)/t12-,14?,16+,17?/m1/s1
InChIKeyDGPXXFNVICACCO-LMEGTBPZSA-N
XLogP1.45
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one (CID 163200061) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one is Cc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)no1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is DGPXXFNVICACCO-LMEGTBPZSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-11-24-7-6-21(12)14-9-17(19-18(23)10-14)22-5-3-4-16(22)15-8-13(2)25-20-15/h8,12,14,16-17H,3-7,9-11H2,1-2H3,(H,19,23)/t12-,14?,16+,17?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).