4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

C17H25N3O2 — CID 24716847

IUPAC4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-5-14-6-8-15(9-7-14)20-11-10-19(13(4)16(20)21)17(22)18-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyCVIMTQFMBOZKTP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.40
Rot. Bonds3

About 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 24716847) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID24716847
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-5-14-6-8-15(9-7-14)20-11-10-19(13(4)16(20)21)17(22)18-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyCVIMTQFMBOZKTP-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (CID 24716847) is 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is CCc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is CVIMTQFMBOZKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-14-6-8-15(9-7-14)20-11-10-19(13(4)16(20)21)17(22)18-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 24716847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).