3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one

C14H23N3O2 — CID 55155657

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2CCO)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17-9-4-3-5-12(17)6-11-18/h7,10,12,18H,2-6,8-9,11H2,1H3
InChIKeyMIDQNIQJNUDPIJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one (PubChem CID 55155657) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one
PubChem CID55155657
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2CCO)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17-9-4-3-5-12(17)6-11-18/h7,10,12,18H,2-6,8-9,11H2,1H3
InChIKeyMIDQNIQJNUDPIJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one (CID 55155657) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one is CCCn1ccnc(N2CCCCC2CCO)c1=O.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The InChIKey is MIDQNIQJNUDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17-9-4-3-5-12(17)6-11-18/h7,10,12,18H,2-6,8-9,11H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-propylpyrazin-2-one is sourced from PubChem (CID 55155657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).