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

C11H15N3O3 — CID 43572819

IUPAC5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC1CO
InChIInChI=1S/C11H15N3O3/c15-7-8-3-1-2-4-14(8)11(17)9-5-13-10(16)6-12-9/h5-6,8,15H,1-4,7H2,(H,13,16)
InChIKeyOGADIHCESPUNFB-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.24
Rot. Bonds2

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

5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 43572819) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID43572819
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC1CO
InChIInChI=1S/C11H15N3O3/c15-7-8-3-1-2-4-14(8)11(17)9-5-13-10(16)6-12-9/h5-6,8,15H,1-4,7H2,(H,13,16)
InChIKeyOGADIHCESPUNFB-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 43572819) is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCCC1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is OGADIHCESPUNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-8-3-1-2-4-14(8)11(17)9-5-13-10(16)6-12-9/h5-6,8,15H,1-4,7H2,(H,13,16).
What are the key properties of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 43572819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).