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

C15H22N4O4S — CID 91760290

IUPAC2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CCN1
InChIInChI=1S/C15H22N4O4S/c20-14-5-19(3-2-16-14)6-15(21)18-12-1-4-22-8-13(12)23-7-11-9-24-10-17-11/h9-10,12-13H,1-8H2,(H,16,20)(H,18,21)/t12-,13-/m1/s1
InChIKeyLHUWOMPTOUCMSR-CHWSQXEVSA-N
MW354.43 g/mol
LogP-0.63
Rot. Bonds6

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

2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91760290) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91760290
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CCN1
InChIInChI=1S/C15H22N4O4S/c20-14-5-19(3-2-16-14)6-15(21)18-12-1-4-22-8-13(12)23-7-11-9-24-10-17-11/h9-10,12-13H,1-8H2,(H,16,20)(H,18,21)/t12-,13-/m1/s1
InChIKeyLHUWOMPTOUCMSR-CHWSQXEVSA-N
XLogP-0.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (CID 91760290) is 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is O=C1CN(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CCN1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is LHUWOMPTOUCMSR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N4O4S/c20-14-5-19(3-2-16-14)6-15(21)18-12-1-4-22-8-13(12)23-7-11-9-24-10-17-11/h9-10,12-13H,1-8H2,(H,16,20)(H,18,21)/t12-,13-/m1/s1.
What are the key properties of 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91760290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).