N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide

C15H19N3O3 — CID 110741190

IUPACN-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C)C(=O)C2C)c1
InChIInChI=1S/C15H19N3O3/c1-10-14(20)17(3)7-8-18(10)15(21)12-5-4-6-13(9-12)16-11(2)19/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyDXWGELXBVWUTSG-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.95
Rot. Bonds2

About N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide

N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 110741190) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
PubChem CID110741190
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C)C(=O)C2C)c1
InChIInChI=1S/C15H19N3O3/c1-10-14(20)17(3)7-8-18(10)15(21)12-5-4-6-13(9-12)16-11(2)19/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyDXWGELXBVWUTSG-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide (CID 110741190) is N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(C)C(=O)C2C)c1.
What is the InChIKey of N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is DXWGELXBVWUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-14(20)17(3)7-8-18(10)15(21)12-5-4-6-13(9-12)16-11(2)19/h4-6,9-10H,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide?
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110741190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).