4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione

C11H13N3O3 — CID 114056149

IUPAC4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
SMILESC[C@H](O)c1cccnc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H13N3O3/c1-7(15)8-3-2-4-12-11(8)14-5-9(16)13-10(17)6-14/h2-4,7,15H,5-6H2,1H3,(H,13,16,17)/t7-/m0/s1
InChIKeyWXPNXYCMCUONER-ZETCQYMHSA-N
MW235.24 g/mol
LogP-0.40
Rot. Bonds2

About 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione

4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione (PubChem CID 114056149) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
PubChem CID114056149
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
SMILESC[C@H](O)c1cccnc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H13N3O3/c1-7(15)8-3-2-4-12-11(8)14-5-9(16)13-10(17)6-14/h2-4,7,15H,5-6H2,1H3,(H,13,16,17)/t7-/m0/s1
InChIKeyWXPNXYCMCUONER-ZETCQYMHSA-N
XLogP-0.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 114056090
1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
CID 114082238
(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 114056098
4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol
CID 114056362
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one
CID 130323297
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
CID 167721300
2-(2-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 83882581
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pyridine-3-carbonitrile
CID 66074057

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione (CID 114056149) is 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione is C[C@H](O)c1cccnc1N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione?
The InChIKey is WXPNXYCMCUONER-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(15)8-3-2-4-12-11(8)14-5-9(16)13-10(17)6-14/h2-4,7,15H,5-6H2,1H3,(H,13,16,17)/t7-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione?
4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 114056149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).