4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one

C19H21N3O3 — CID 172662740

IUPAC4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C19H21N3O3/c1-13-8-10-22(14(2)15-6-4-3-5-7-15)19(25)17(13)18(24)21-11-9-20-16(23)12-21/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,23)
InChIKeyJTCYAVDPXFGKFT-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.34
Rot. Bonds3

About 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one

4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one (PubChem CID 172662740) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
PubChem CID172662740
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C19H21N3O3/c1-13-8-10-22(14(2)15-6-4-3-5-7-15)19(25)17(13)18(24)21-11-9-20-16(23)12-21/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,23)
InChIKeyJTCYAVDPXFGKFT-UHFFFAOYSA-N
XLogP1.34
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one (CID 172662740) is 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is JTCYAVDPXFGKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-8-10-22(14(2)15-6-4-3-5-7-15)19(25)17(13)18(24)21-11-9-20-16(23)12-21/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one?
4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 339.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 172662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).