N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide

C28H29N3O3 — CID 55351073

IUPACN-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H29N3O3/c1-20(32)22-11-13-26(14-12-22)30-15-17-31(18-16-30)27(23-7-4-3-5-8-23)28(34)29-25-10-6-9-24(19-25)21(2)33/h3-14,19,27H,15-18H2,1-2H3,(H,29,34)
InChIKeyHYQNCTIJKRDORO-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.59
Rot. Bonds7

About N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide

N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 55351073) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID55351073
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H29N3O3/c1-20(32)22-11-13-26(14-12-22)30-15-17-31(18-16-30)27(23-7-4-3-5-8-23)28(34)29-25-10-6-9-24(19-25)21(2)33/h3-14,19,27H,15-18H2,1-2H3,(H,29,34)
InChIKeyHYQNCTIJKRDORO-UHFFFAOYSA-N
XLogP4.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
2-phenyl-2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42911831
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 41169147
(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 30172697
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 55841686
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55842021
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide (CID 55351073) is N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide is CC(=O)c1ccc(N2CCN(C(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is HYQNCTIJKRDORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(32)22-11-13-26(14-12-22)30-15-17-31(18-16-30)27(23-7-4-3-5-8-23)28(34)29-25-10-6-9-24(19-25)21(2)33/h3-14,19,27H,15-18H2,1-2H3,(H,29,34).
What are the key properties of N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide?
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 455.56 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55351073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).