2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide

C16H23N3O4S — CID 91764432

IUPAC2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C16H23N3O4S/c20-15(7-19-5-2-1-3-16(19)21)18-13-4-6-22-9-14(13)23-8-12-10-24-11-17-12/h10-11,13-14H,1-9H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyJFNUPRSSYXHWOZ-ZIAGYGMSSA-N
MW353.44 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide

2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91764432) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91764432
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C16H23N3O4S/c20-15(7-19-5-2-1-3-16(19)21)18-13-4-6-22-9-14(13)23-8-12-10-24-11-17-12/h10-11,13-14H,1-9H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyJFNUPRSSYXHWOZ-ZIAGYGMSSA-N
XLogP0.95
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (CID 91764432) is 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is O=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is JFNUPRSSYXHWOZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-15(7-19-5-2-1-3-16(19)21)18-13-4-6-22-9-14(13)23-8-12-10-24-11-17-12/h10-11,13-14H,1-9H2,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91764432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).