2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide

C19H25N3O+2 — CID 7473112

IUPAC2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23)/p+2
InChIKeyOIQQJEDDLKTDHM-UHFFFAOYSA-P
MW311.43 g/mol
LogP-0.39
Rot. Bonds5

About 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide (PubChem CID 7473112) has the molecular formula C19H25N3O+2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
PubChem CID7473112
Molecular FormulaC19H25N3O+2
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23)/p+2
InChIKeyOIQQJEDDLKTDHM-UHFFFAOYSA-P
XLogP-0.39
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8902431
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 9046873
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9293180
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 8993872
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide (CID 7473112) is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide is O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The InChIKey is OIQQJEDDLKTDHM-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23)/p+2.
What are the key properties of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide has a molecular weight of 311.43 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide is sourced from PubChem (CID 7473112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).