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

C22H30N3O2+ — CID 9346548

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-2-8-19(18-9-4-3-5-10-18)23-22(27)17-24-13-15-25(16-14-24)20-11-6-7-12-21(20)26/h3-7,9-12,19,26H,2,8,13-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1
InChIKeyCETJXGCNUVQUIU-LJQANCHMSA-O
MW368.50 g/mol
LogP1.75
Rot. Bonds7

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

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (PubChem CID 9346548) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
PubChem CID9346548
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-2-8-19(18-9-4-3-5-10-18)23-22(27)17-24-13-15-25(16-14-24)20-11-6-7-12-21(20)26/h3-7,9-12,19,26H,2,8,13-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1
InChIKeyCETJXGCNUVQUIU-LJQANCHMSA-O
XLogP1.75
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346067
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 8529020
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346465
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
CID 8529566
N-[(2S)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529545
N-[(2R)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529542
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528792
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8528487
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 8528949
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (CID 9346548) is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is CCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The InChIKey is CETJXGCNUVQUIU-LJQANCHMSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-2-8-19(18-9-4-3-5-10-18)23-22(27)17-24-13-15-25(16-14-24)20-11-6-7-12-21(20)26/h3-7,9-12,19,26H,2,8,13-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is sourced from PubChem (CID 9346548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).