1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one

C19H23N3O3 — CID 155962442

IUPAC1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(CCO)c2)C(c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-20-9-10-22(17(14-20)15-5-3-2-4-6-15)19(25)16-7-8-18(24)21(13-16)11-12-23/h2-8,13,17,23H,9-12,14H2,1H3
InChIKeyMLPDCGLORCOWCC-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.97
Rot. Bonds4

About 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one

1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 155962442) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID155962442
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(CCO)c2)C(c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-20-9-10-22(17(14-20)15-5-3-2-4-6-15)19(25)16-7-8-18(24)21(13-16)11-12-23/h2-8,13,17,23H,9-12,14H2,1H3
InChIKeyMLPDCGLORCOWCC-UHFFFAOYSA-N
XLogP0.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one (CID 155962442) is 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one is CN1CCN(C(=O)c2ccc(=O)n(CCO)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is MLPDCGLORCOWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-9-10-22(17(14-20)15-5-3-2-4-6-15)19(25)16-7-8-18(24)21(13-16)11-12-23/h2-8,13,17,23H,9-12,14H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one?
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 341.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 155962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).