3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide

C22H27N3O2 — CID 109053638

IUPAC3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-24-12-14-25(15-13-24)22(27)20-11-7-10-19(16-20)21(26)23-17(2)18-8-5-4-6-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyYEXAAFUUIMGZJH-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide

3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide (PubChem CID 109053638) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
PubChem CID109053638
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-24-12-14-25(15-13-24)22(27)20-11-7-10-19(16-20)21(26)23-17(2)18-8-5-4-6-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyYEXAAFUUIMGZJH-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 90761877
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide (CID 109053638) is 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide is CCN1CCN(C(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide?
The InChIKey is YEXAAFUUIMGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24-12-14-25(15-13-24)22(27)20-11-7-10-19(16-20)21(26)23-17(2)18-8-5-4-6-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide?
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 109053638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).