4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one

C11H13N3O3 — CID 63607605

IUPAC4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ncccc1O
InChIInChI=1S/C11H13N3O3/c1-7-10(16)13-5-6-14(7)11(17)9-8(15)3-2-4-12-9/h2-4,7,15H,5-6H2,1H3,(H,13,16)
InChIKeyXAYHGNDOFGUYHX-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.25
Rot. Bonds1

About 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one

4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63607605) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
PubChem CID63607605
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ncccc1O
InChIInChI=1S/C11H13N3O3/c1-7-10(16)13-5-6-14(7)11(17)9-8(15)3-2-4-12-9/h2-4,7,15H,5-6H2,1H3,(H,13,16)
InChIKeyXAYHGNDOFGUYHX-UHFFFAOYSA-N
XLogP-0.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
(2S)-1-(3-hydroxypyridine-2-carbonyl)-2-methyl-1,4-diazepan-5-one
CID 95190418
3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
CID 63602847
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
CID 63079543
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63596627
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one (CID 63607605) is 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1ncccc1O.
What is the InChIKey of 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is XAYHGNDOFGUYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-10(16)13-5-6-14(7)11(17)9-8(15)3-2-4-12-9/h2-4,7,15H,5-6H2,1H3,(H,13,16).
What are the key properties of 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one?
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 235.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63607605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).