5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one

C10H13N3O3 — CID 43502671

IUPAC5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-3-13(6-7)10(16)8-4-12-9(15)5-11-8/h4-5,7,14H,1-3,6H2,(H,12,15)
InChIKeyXHMSRGFHGVFJRQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.63
Rot. Bonds1

About 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one

5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 43502671) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID43502671
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-3-13(6-7)10(16)8-4-12-9(15)5-11-8/h4-5,7,14H,1-3,6H2,(H,12,15)
InChIKeyXHMSRGFHGVFJRQ-UHFFFAOYSA-N
XLogP-0.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one (CID 43502671) is 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCC(O)C1.
What is the InChIKey of 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is XHMSRGFHGVFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-2-1-3-13(6-7)10(16)8-4-12-9(15)5-11-8/h4-5,7,14H,1-3,6H2,(H,12,15).
What are the key properties of 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one?
5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 43502671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).