4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one

C14H21N5O2S — CID 56799956

IUPAC4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCN(Cc3cscn3)CC2)CCN1
InChIInChI=1S/C14H21N5O2S/c20-13-8-19(2-1-15-13)14(21)9-18-5-3-17(4-6-18)7-12-10-22-11-16-12/h10-11H,1-9H2,(H,15,20)
InChIKeyPFNOEWUWBJRGFL-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.78
Rot. Bonds4

About 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one

4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one (PubChem CID 56799956) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
PubChem CID56799956
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCN(Cc3cscn3)CC2)CCN1
InChIInChI=1S/C14H21N5O2S/c20-13-8-19(2-1-15-13)14(21)9-18-5-3-17(4-6-18)7-12-10-22-11-16-12/h10-11H,1-9H2,(H,15,20)
InChIKeyPFNOEWUWBJRGFL-UHFFFAOYSA-N
XLogP-0.78
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
CID 36800649
4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 62837528
4-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 154775681
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 141149207
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
CID 86923357
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 39983265
methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982405

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one (CID 56799956) is 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CCN(Cc3cscn3)CC2)CCN1.
What is the InChIKey of 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one?
The InChIKey is PFNOEWUWBJRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c20-13-8-19(2-1-15-13)14(21)9-18-5-3-17(4-6-18)7-12-10-22-11-16-12/h10-11H,1-9H2,(H,15,20).
What are the key properties of 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one?
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one has a molecular weight of 323.42 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 56799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).