5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C11H15N3O3 — CID 43589498

IUPAC5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(CO)C1
InChIInChI=1S/C11H15N3O3/c15-7-8-2-1-3-14(6-8)11(17)9-4-13-10(16)5-12-9/h4-5,8,15H,1-3,6-7H2,(H,13,16)
InChIKeyDICCAOSSXPQVGE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.39
Rot. Bonds2

About 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 43589498) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID43589498
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(CO)C1
InChIInChI=1S/C11H15N3O3/c15-7-8-2-1-3-14(6-8)11(17)9-4-13-10(16)5-12-9/h4-5,8,15H,1-3,6-7H2,(H,13,16)
InChIKeyDICCAOSSXPQVGE-UHFFFAOYSA-N
XLogP-0.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[(3R*,5R*)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-2-pyrazinol
CID 72903131
(3R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 28789756
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 28789758
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 43211092
5-(4-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 43502629
5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 43572819
5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 54878578
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 54878769
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 62372332
5-{[3-(2-Hydroxyethyl)-4-isobutylpiperazin-1-yl]carbonyl}pyrazin-2-ol
CID 91794678
5-[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 100276570
N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 103782240

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 43589498) is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is DICCAOSSXPQVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-8-2-1-3-14(6-8)11(17)9-4-13-10(16)5-12-9/h4-5,8,15H,1-3,6-7H2,(H,13,16).
What are the key properties of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 43589498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).