(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate

C15H21N3O3S — CID 75369917

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)C1CCCN(c2nccs2)C1
InChIInChI=1S/C15H21N3O3S/c19-13(17-6-1-2-7-17)11-21-14(20)12-4-3-8-18(10-12)15-16-5-9-22-15/h5,9,12H,1-4,6-8,10-11H2
InChIKeyMXYHWFWYPAMLFZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.53
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate (PubChem CID 75369917) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
PubChem CID75369917
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)C1CCCN(c2nccs2)C1
InChIInChI=1S/C15H21N3O3S/c19-13(17-6-1-2-7-17)11-21-14(20)12-4-3-8-18(10-12)15-16-5-9-22-15/h5,9,12H,1-4,6-8,10-11H2
InChIKeyMXYHWFWYPAMLFZ-UHFFFAOYSA-N
XLogP1.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate (CID 75369917) is (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate is O=C(OCC(=O)N1CCCC1)C1CCCN(c2nccs2)C1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate?
The InChIKey is MXYHWFWYPAMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-13(17-6-1-2-7-17)11-21-14(20)12-4-3-8-18(10-12)15-16-5-9-22-15/h5,9,12H,1-4,6-8,10-11H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 75369917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).