4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one

C11H15N3O2 — CID 83131847

IUPAC4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
SMILESC[C@H](O)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyQSIPRWWOFLZRLQ-QMMMGPOBSA-N
MW221.26 g/mol
LogP0.07
Rot. Bonds2

About 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one

4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one (PubChem CID 83131847) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
PubChem CID83131847
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
SMILESC[C@H](O)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyQSIPRWWOFLZRLQ-QMMMGPOBSA-N
XLogP0.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one (CID 83131847) is 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one is C[C@H](O)c1ccc(N2CCNC(=O)C2)cn1.
What is the InChIKey of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is QSIPRWWOFLZRLQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 83131847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).