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

C26H25N3O3 — CID 25166103

IUPACN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3/c30-24(28-15-17-29(18-16-28)26(32)23-9-5-2-6-10-23)19-27-25(31)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,31)
InChIKeySPHQIUHPUGKIEQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.07
Rot. Bonds5

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

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide (PubChem CID 25166103) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
PubChem CID25166103
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3/c30-24(28-15-17-29(18-16-28)26(32)23-9-5-2-6-10-23)19-27-25(31)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,31)
InChIKeySPHQIUHPUGKIEQ-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 59559610
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86884558
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-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 17463637
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide (CID 25166103) is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide is O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is SPHQIUHPUGKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24(28-15-17-29(18-16-28)26(32)23-9-5-2-6-10-23)19-27-25(31)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,31).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide?
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 427.50 g/mol, XLogP of 3.07, 5 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]-4-phenylbenzamide is sourced from PubChem (CID 25166103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).