1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C15H24N4OS — CID 120982588

IUPAC1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1c1nccs1)N1CCNCC1
InChIInChI=1S/C15H24N4OS/c20-14(19-10-5-16-6-11-19)4-9-18-8-2-1-3-13(18)15-17-7-12-21-15/h7,12-13,16H,1-6,8-11H2
InChIKeyHLSZAOPWSIKWGA-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.49
Rot. Bonds4

About 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 120982588) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID120982588
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1c1nccs1)N1CCNCC1
InChIInChI=1S/C15H24N4OS/c20-14(19-10-5-16-6-11-19)4-9-18-8-2-1-3-13(18)15-17-7-12-21-15/h7,12-13,16H,1-6,8-11H2
InChIKeyHLSZAOPWSIKWGA-UHFFFAOYSA-N
XLogP1.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 120982588) is 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCCC1c1nccs1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HLSZAOPWSIKWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c20-14(19-10-5-16-6-11-19)4-9-18-8-2-1-3-13(18)15-17-7-12-21-15/h7,12-13,16H,1-6,8-11H2.
What are the key properties of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 308.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120982588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).