3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C20H23N3O3 — CID 38454222

IUPAC3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-20(2,15-7-4-3-5-8-15)19(26)23-13-11-22(12-14-23)18(25)16-9-6-10-21-17(16)24/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyFKYABYFSNBGZIO-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.64
Rot. Bonds3

About 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 38454222) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID38454222
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-20(2,15-7-4-3-5-8-15)19(26)23-13-11-22(12-14-23)18(25)16-9-6-10-21-17(16)24/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyFKYABYFSNBGZIO-UHFFFAOYSA-N
XLogP1.64
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 38454222) is 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one is CC(C)(C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is FKYABYFSNBGZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2,15-7-4-3-5-8-15)19(26)23-13-11-22(12-14-23)18(25)16-9-6-10-21-17(16)24/h3-10H,11-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 353.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 38454222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).