4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one

C14H19N3O2S — CID 119333805

IUPAC4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCNCC2)C1c1cccs1
InChIInChI=1S/C14H19N3O2S/c18-13-12(11-2-1-9-20-11)17(8-7-16-13)14(19)10-3-5-15-6-4-10/h1-2,9-10,12,15H,3-8H2,(H,16,18)
InChIKeyVEMYEFOXYLTIGE-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.75
Rot. Bonds2

About 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one

4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 119333805) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
PubChem CID119333805
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCNCC2)C1c1cccs1
InChIInChI=1S/C14H19N3O2S/c18-13-12(11-2-1-9-20-11)17(8-7-16-13)14(19)10-3-5-15-6-4-10/h1-2,9-10,12,15H,3-8H2,(H,16,18)
InChIKeyVEMYEFOXYLTIGE-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one (CID 119333805) is 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(C(=O)C2CCNCC2)C1c1cccs1.
What is the InChIKey of 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is VEMYEFOXYLTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13-12(11-2-1-9-20-11)17(8-7-16-13)14(19)10-3-5-15-6-4-10/h1-2,9-10,12,15H,3-8H2,(H,16,18).
What are the key properties of 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 293.39 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 119333805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).