2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide

C23H32N3O2+ — CID 9346067

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-3-9-20(19-10-5-4-6-11-19)24-23(27)18-25-14-16-26(17-15-25)21-12-7-8-13-22(21)28-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1
InChIKeyGWOCPHQXOUCKLG-HXUWFJFHSA-O
MW382.53 g/mol
LogP2.06
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide

2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (PubChem CID 9346067) has the molecular formula C23H32N3O2+ and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
PubChem CID9346067
Molecular FormulaC23H32N3O2+
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-3-9-20(19-10-5-4-6-11-19)24-23(27)18-25-14-16-26(17-15-25)21-12-7-8-13-22(21)28-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1
InChIKeyGWOCPHQXOUCKLG-HXUWFJFHSA-O
XLogP2.06
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346548
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346720
N-[(1S)-1-phenylbutyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9345025
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346465
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8703554
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8687474
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687242
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687260
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8687005
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687635
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (CID 9346067) is 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is CCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The InChIKey is GWOCPHQXOUCKLG-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H31N3O2/c1-3-9-20(19-10-5-4-6-11-19)24-23(27)18-25-14-16-26(17-15-25)21-12-7-8-13-22(21)28-2/h4-8,10-13,20H,3,9,14-18H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is sourced from PubChem (CID 9346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).