4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

C15H23N3O3 — CID 56803082

IUPAC4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCC(O)CN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-13(19)11-17-6-8-18(9-7-17)15(21)12-4-5-16(2)14(20)10-12/h4-5,10,13,19H,3,6-9,11H2,1-2H3
InChIKeyUMLSPTLKHMERRW-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.09
Rot. Bonds4

About 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 56803082) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID56803082
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCC(O)CN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-13(19)11-17-6-8-18(9-7-17)15(21)12-4-5-16(2)14(20)10-12/h4-5,10,13,19H,3,6-9,11H2,1-2H3
InChIKeyUMLSPTLKHMERRW-UHFFFAOYSA-N
XLogP-0.09
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 56803082) is 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is CCC(O)CN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is UMLSPTLKHMERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-13(19)11-17-6-8-18(9-7-17)15(21)12-4-5-16(2)14(20)10-12/h4-5,10,13,19H,3,6-9,11H2,1-2H3.
What are the key properties of 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 56803082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).