4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C20H23N3O2 — CID 3938625

IUPAC4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16-7-9-17(10-8-16)20(25)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyQFVHROCVJLELDM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.07
Rot. Bonds4

About 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide

4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 3938625) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID3938625
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16-7-9-17(10-8-16)20(25)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyQFVHROCVJLELDM-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 3938625) is 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is QFVHROCVJLELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16-7-9-17(10-8-16)20(25)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25).
What are the key properties of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 3938625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).