2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide

C26H27N3O3 — CID 38859014

IUPAC2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c27-26(31)22-13-7-8-14-23(22)32-19-24(30)28-15-17-29(18-16-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H2,27,31)
InChIKeyOGZDTSMKIXRUMZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.10
Rot. Bonds7

About 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide

2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 38859014) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
PubChem CID38859014
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c27-26(31)22-13-7-8-14-23(22)32-19-24(30)28-15-17-29(18-16-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H2,27,31)
InChIKeyOGZDTSMKIXRUMZ-UHFFFAOYSA-N
XLogP3.10
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
CID 38858953
1-(4-benzhydrylpiperazin-1-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 4945472
1-(4-benzhydrylpiperazin-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 27027721
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-2-methylphenoxy)ethanone
CID 4186443
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone;hydrochloride
CID 2893953
(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
CID 4946404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide (CID 38859014) is 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is OGZDTSMKIXRUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-26(31)22-13-7-8-14-23(22)32-19-24(30)28-15-17-29(18-16-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H2,27,31).
What are the key properties of 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide?
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 38859014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).