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

C17H23N3O3S — CID 155982454

IUPAC1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(=O)c1sc(C2CCN(C(=O)CN3CCCC3=O)CC2)nc1C
InChIInChI=1S/C17H23N3O3S/c1-11-16(12(2)21)24-17(18-11)13-5-8-19(9-6-13)15(23)10-20-7-3-4-14(20)22/h13H,3-10H2,1-2H3
InChIKeyKKKBQKMHWBWSNY-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.98
Rot. Bonds4

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

1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 155982454) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID155982454
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(=O)c1sc(C2CCN(C(=O)CN3CCCC3=O)CC2)nc1C
InChIInChI=1S/C17H23N3O3S/c1-11-16(12(2)21)24-17(18-11)13-5-8-19(9-6-13)15(23)10-20-7-3-4-14(20)22/h13H,3-10H2,1-2H3
InChIKeyKKKBQKMHWBWSNY-UHFFFAOYSA-N
XLogP1.98
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 155982454) is 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is CC(=O)c1sc(C2CCN(C(=O)CN3CCCC3=O)CC2)nc1C.
What is the InChIKey of 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is KKKBQKMHWBWSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-16(12(2)21)24-17(18-11)13-5-8-19(9-6-13)15(23)10-20-7-3-4-14(20)22/h13H,3-10H2,1-2H3.
What are the key properties of 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 349.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 155982454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).