1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one

C14H25N3OS — CID 120844655

IUPAC1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(CC2CCSC2)C1
InChIInChI=1S/C14H25N3OS/c18-14-8-15-4-6-17(14)13-2-1-5-16(10-13)9-12-3-7-19-11-12/h12-13,15H,1-11H2
InChIKeyWFCURIUOAYTLRH-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.64
Rot. Bonds3

About 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one

1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one (PubChem CID 120844655) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
PubChem CID120844655
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(CC2CCSC2)C1
InChIInChI=1S/C14H25N3OS/c18-14-8-15-4-6-17(14)13-2-1-5-16(10-13)9-12-3-7-19-11-12/h12-13,15H,1-11H2
InChIKeyWFCURIUOAYTLRH-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one (CID 120844655) is 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one is O=C1CNCCN1C1CCCN(CC2CCSC2)C1.
What is the InChIKey of 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one?
The InChIKey is WFCURIUOAYTLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c18-14-8-15-4-6-17(14)13-2-1-5-16(10-13)9-12-3-7-19-11-12/h12-13,15H,1-11H2.
What are the key properties of 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one?
1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one has a molecular weight of 283.44 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).