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

C27H30N3O2+ — CID 7472809

IUPACN-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-25(20-22-10-4-1-5-11-22)28-21-26(32)29-16-18-30(19-17-29)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-21H2,(H,28,31)/p+1
InChIKeyGIVFLDVGSJVCRA-UHFFFAOYSA-O
MW428.56 g/mol
LogP1.86
Rot. Bonds7

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

N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide (PubChem CID 7472809) has the molecular formula C27H30N3O2+ and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide
PubChem CID7472809
Molecular FormulaC27H30N3O2+
Molecular Weight428.56 g/mol
Exact Mass428.23
IUPAC NameN-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-25(20-22-10-4-1-5-11-22)28-21-26(32)29-16-18-30(19-17-29)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-21H2,(H,28,31)/p+1
InChIKeyGIVFLDVGSJVCRA-UHFFFAOYSA-O
XLogP1.86
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenylethanone
CID 6988523
3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropanoate
CID 2051404
1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenylbutan-1-one
CID 7348933
N-[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 9021626
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethanone
CID 7413150
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 17487848
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
4-benzhydryl-N,N-diethylpiperazin-4-ium-1-carboxamide
CID 4228452
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 112991834

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide (CID 7472809) is N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is GIVFLDVGSJVCRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H29N3O2/c31-25(20-22-10-4-1-5-11-22)28-21-26(32)29-16-18-30(19-17-29)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-21H2,(H,28,31)/p+1.
What are the key properties of N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide?
N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 428.56 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 7472809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).