(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide

C16H25ClN3O2+ — CID 9442622

IUPAC(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-13(16(21)18-6-11-22-2)19-7-9-20(10-8-19)15-5-3-4-14(17)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1
InChIKeyBYOHWMPRGKQIGF-CYBMUJFWSA-O
MW326.85 g/mol
LogP0.20
Rot. Bonds6

About (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 9442622) has the molecular formula C16H25ClN3O2+ and a molecular weight of 326.85 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID9442622
Molecular FormulaC16H25ClN3O2+
Molecular Weight326.85 g/mol
Exact Mass326.16
IUPAC Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-13(16(21)18-6-11-22-2)19-7-9-20(10-8-19)15-5-3-4-14(17)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1
InChIKeyBYOHWMPRGKQIGF-CYBMUJFWSA-O
XLogP0.20
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide 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

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8529813
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2454279
(2S)-N-(benzylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9442798
(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-difluorophenyl)propanamide
CID 9442700
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
CID 9442654
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529789
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529804
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
(2R)-N-(2-methoxyethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9493851
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
2-[[[4-(3-chlorophenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111186907
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide (CID 9442622) is (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is BYOHWMPRGKQIGF-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H24ClN3O2/c1-13(16(21)18-6-11-22-2)19-7-9-20(10-8-19)15-5-3-4-14(17)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide?
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 326.85 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 9442622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).