2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide

C21H23N3O4 — CID 4875106

IUPAC2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23N3O4/c1-16(25)23-11-13-24(14-12-23)20(26)15-28-19-10-6-5-9-18(19)21(27)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,27)
InChIKeyCNMTVJOQASWBJD-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 4875106) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID4875106
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23N3O4/c1-16(25)23-11-13-24(14-12-23)20(26)15-28-19-10-6-5-9-18(19)21(27)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,27)
InChIKeyCNMTVJOQASWBJD-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide (CID 4875106) is 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide is CC(=O)N1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is CNMTVJOQASWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-16(25)23-11-13-24(14-12-23)20(26)15-28-19-10-6-5-9-18(19)21(27)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,27).
What are the key properties of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 381.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 4875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).