(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one

C8H14N2O2 — CID 171824613

IUPAC(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one
SMILESC[C@H]1CNC(=O)CN1C1COC1
InChIInChI=1S/C8H14N2O2/c1-6-2-9-8(11)3-10(6)7-4-12-5-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyNBNRDCQHCRFDFT-LURJTMIESA-N
MW170.21 g/mol
LogP-0.79
Rot. Bonds1

About (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one

(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one (PubChem CID 171824613) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one
PubChem CID171824613
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one
SMILESC[C@H]1CNC(=O)CN1C1COC1
InChIInChI=1S/C8H14N2O2/c1-6-2-9-8(11)3-10(6)7-4-12-5-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyNBNRDCQHCRFDFT-LURJTMIESA-N
XLogP-0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one?
The IUPAC name of (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one (CID 171824613) is (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one.
What is the SMILES notation for (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one?
The canonical SMILES for (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one is C[C@H]1CNC(=O)CN1C1COC1.
What is the InChIKey of (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one?
The InChIKey is NBNRDCQHCRFDFT-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-2-9-8(11)3-10(6)7-4-12-5-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one?
(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one is sourced from PubChem (CID 171824613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).