N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide

C20H21N3O3 — CID 2560876

IUPACN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25)
InChIKeyZTKUICVROFTEMV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 2560876) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID2560876
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25)
InChIKeyZTKUICVROFTEMV-UHFFFAOYSA-N
XLogP1.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86884558
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
CID 71977454
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 2560876) is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is ZTKUICVROFTEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2560876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).