1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C15H23N3O2S — CID 72883867

IUPAC1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(c2nc(CO)cs2)CC1
InChIInChI=1S/C15H23N3O2S/c19-10-13-11-21-15(16-13)18-8-4-12(5-9-18)3-7-17-6-1-2-14(17)20/h11-12,19H,1-10H2
InChIKeyIEBUIFJKSZIYSC-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 72883867) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID72883867
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(c2nc(CO)cs2)CC1
InChIInChI=1S/C15H23N3O2S/c19-10-13-11-21-15(16-13)18-8-4-12(5-9-18)3-7-17-6-1-2-14(17)20/h11-12,19H,1-10H2
InChIKeyIEBUIFJKSZIYSC-UHFFFAOYSA-N
XLogP1.86
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 72883867) is 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN(c2nc(CO)cs2)CC1.
What is the InChIKey of 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is IEBUIFJKSZIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-10-13-11-21-15(16-13)18-8-4-12(5-9-18)3-7-17-6-1-2-14(17)20/h11-12,19H,1-10H2.
What are the key properties of 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 309.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72883867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).