(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one

C9H16N2O3 — CID 54357499

IUPAC(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one
SMILESCO[C@H](C)[C@@H]1NCCN(C(C)=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-6(14-3)8-9(13)11(7(2)12)5-4-10-8/h6,8,10H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyUKCZABMNGLKJNC-SVRRBLITSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds2

About (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one

(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one (PubChem CID 54357499) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one
PubChem CID54357499
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one
SMILESCO[C@H](C)[C@@H]1NCCN(C(C)=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-6(14-3)8-9(13)11(7(2)12)5-4-10-8/h6,8,10H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyUKCZABMNGLKJNC-SVRRBLITSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one?
The IUPAC name of (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one (CID 54357499) is (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one.
What is the SMILES notation for (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one?
The canonical SMILES for (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one is CO[C@H](C)[C@@H]1NCCN(C(C)=O)C1=O.
What is the InChIKey of (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one?
The InChIKey is UKCZABMNGLKJNC-SVRRBLITSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(14-3)8-9(13)11(7(2)12)5-4-10-8/h6,8,10H,4-5H2,1-3H3/t6-,8+/m1/s1.
What are the key properties of (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one?
(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one is sourced from PubChem (CID 54357499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).