2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide

C23H27N3O+2 — CID 2697461

IUPAC2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c27-23(24-22-11-10-20-8-4-5-9-21(20)16-22)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,24,27)/p+2
InChIKeyDZTFNFPSJXIZHE-UHFFFAOYSA-P
MW361.49 g/mol
LogP0.76
Rot. Bonds5

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

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide (PubChem CID 2697461) has the molecular formula C23H27N3O+2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
PubChem CID2697461
Molecular FormulaC23H27N3O+2
Molecular Weight361.49 g/mol
Exact Mass361.21
IUPAC Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c27-23(24-22-11-10-20-8-4-5-9-21(20)16-22)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,24,27)/p+2
InChIKeyDZTFNFPSJXIZHE-UHFFFAOYSA-P
XLogP0.76
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8902431
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9275156
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9258599
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 9046873
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide (CID 2697461) is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide is O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is DZTFNFPSJXIZHE-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H25N3O/c27-23(24-22-11-10-20-8-4-5-9-21(20)16-22)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,24,27)/p+2.
What are the key properties of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide?
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 361.49 g/mol, XLogP of 0.76, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 2697461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).