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

C26H27N3O2 — CID 29263072

IUPACN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c30-24(20-27-26(31)23-14-8-3-9-15-23)28-16-18-29(19-17-28)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2,(H,27,31)
InChIKeyOYRNHWXSAYVNOP-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 29263072) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID29263072
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c30-24(20-27-26(31)23-14-8-3-9-15-23)28-16-18-29(19-17-28)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2,(H,27,31)
InChIKeyOYRNHWXSAYVNOP-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2560876
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
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N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 29263072) is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is OYRNHWXSAYVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-24(20-27-26(31)23-14-8-3-9-15-23)28-16-18-29(19-17-28)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2,(H,27,31).
What are the key properties of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 29263072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).