(3R)-3-thiophen-2-ylpiperazin-2-one

C8H10N2OS — CID 52539209

IUPAC(3R)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN[C@H]1c1cccs1
InChIInChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)/t7-/m0/s1
InChIKeyBBACKDMGYMXYLE-ZETCQYMHSA-N
MW182.25 g/mol
LogP0.51
Rot. Bonds1

About (3R)-3-thiophen-2-ylpiperazin-2-one

(3R)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 52539209) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (3R)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-thiophen-2-ylpiperazin-2-one
PubChem CID52539209
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(3R)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN[C@H]1c1cccs1
InChIInChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)/t7-/m0/s1
InChIKeyBBACKDMGYMXYLE-ZETCQYMHSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 77153151
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
3-[(4-thiophen-2-ylphenyl)methyl]piperazin-2-one
CID 71298961
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 23315287
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 11988427
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of (3R)-3-thiophen-2-ylpiperazin-2-one (CID 52539209) is (3R)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN[C@H]1c1cccs1.
What is the InChIKey of (3R)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is BBACKDMGYMXYLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (3R)-3-thiophen-2-ylpiperazin-2-one?
(3R)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 182.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 52539209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).