N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide

C20H27N3O+2 — CID 8902621

IUPACN-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)/p+2
InChIKeyMZXQDYFQFXGLHT-UHFFFAOYSA-P
MW325.46 g/mol
LogP-0.71
Rot. Bonds6

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

N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 8902621) has the molecular formula C20H27N3O+2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID8902621
Molecular FormulaC20H27N3O+2
Molecular Weight325.46 g/mol
Exact Mass325.21
IUPAC NameN-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)/p+2
InChIKeyMZXQDYFQFXGLHT-UHFFFAOYSA-P
XLogP-0.71
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9262090
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
N-(benzylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118126
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
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-naphthalen-2-ylacetamide
CID 2697461
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450772
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 2608362
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide (CID 8902621) is N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide is O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is MZXQDYFQFXGLHT-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H25N3O/c24-20(21-15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)/p+2.
What are the key properties of N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide?
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 8902621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).