1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one

C18H27N3O3S — CID 136513895

IUPAC1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
SMILESCC(C)CC(C(=O)N1CCOC(c2nccs2)C1)N1CCCCC1=O
InChIInChI=1S/C18H27N3O3S/c1-13(2)11-14(21-7-4-3-5-16(21)22)18(23)20-8-9-24-15(12-20)17-19-6-10-25-17/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3
InChIKeyLDVFEOQPVJHWQB-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one

1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one (PubChem CID 136513895) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
PubChem CID136513895
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
SMILESCC(C)CC(C(=O)N1CCOC(c2nccs2)C1)N1CCCCC1=O
InChIInChI=1S/C18H27N3O3S/c1-13(2)11-14(21-7-4-3-5-16(21)22)18(23)20-8-9-24-15(12-20)17-19-6-10-25-17/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3
InChIKeyLDVFEOQPVJHWQB-UHFFFAOYSA-N
XLogP2.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one?
The IUPAC name of 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one (CID 136513895) is 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one is CC(C)CC(C(=O)N1CCOC(c2nccs2)C1)N1CCCCC1=O.
What is the InChIKey of 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one?
The InChIKey is LDVFEOQPVJHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13(2)11-14(21-7-4-3-5-16(21)22)18(23)20-8-9-24-15(12-20)17-19-6-10-25-17/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one?
1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one has a molecular weight of 365.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one is sourced from PubChem (CID 136513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).