2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide

C23H27N3O+2 — CID 9046873

IUPAC2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(24-21-10-2-1-3-11-21)18-26-15-13-25(14-16-26)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-18H2,(H,24,27)/p+2
InChIKeyLAUHFKLRZYFCER-UHFFFAOYSA-P
MW361.49 g/mol
LogP0.76
Rot. Bonds5

About 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide

2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide (PubChem CID 9046873) has the molecular formula C23H27N3O+2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
PubChem CID9046873
Molecular FormulaC23H27N3O+2
Molecular Weight361.49 g/mol
Exact Mass361.21
IUPAC Name2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(24-21-10-2-1-3-11-21)18-26-15-13-25(14-16-26)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-18H2,(H,24,27)/p+2
InChIKeyLAUHFKLRZYFCER-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
N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462
2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711088
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8804598
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9046899
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
2-[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719288
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 8993872
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide (CID 9046873) is 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide is O=C(C[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The InChIKey is LAUHFKLRZYFCER-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H25N3O/c27-23(24-21-10-2-1-3-11-21)18-26-15-13-25(14-16-26)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-18H2,(H,24,27)/p+2.
What are the key properties of 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide?
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide 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-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide is sourced from PubChem (CID 9046873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).