2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide

C25H34N4O2 — CID 55566381

IUPAC2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-3-21(2)26-24(30)19-27-14-16-28(17-15-27)20-25(31)29(23-12-8-5-9-13-23)18-22-10-6-4-7-11-22/h4-13,21H,3,14-20H2,1-2H3,(H,26,30)
InChIKeyWIUBMHZQVAPFMV-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.75
Rot. Bonds9

About 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide

2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 55566381) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID55566381
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-3-21(2)26-24(30)19-27-14-16-28(17-15-27)20-25(31)29(23-12-8-5-9-13-23)18-22-10-6-4-7-11-22/h4-13,21H,3,14-20H2,1-2H3,(H,26,30)
InChIKeyWIUBMHZQVAPFMV-UHFFFAOYSA-N
XLogP2.75
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-butan-2-ylacetamide
CID 3628343
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide (CID 55566381) is 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is WIUBMHZQVAPFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-21(2)26-24(30)19-27-14-16-28(17-15-27)20-25(31)29(23-12-8-5-9-13-23)18-22-10-6-4-7-11-22/h4-13,21H,3,14-20H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 422.57 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 55566381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).