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

C16H24ClN3O2 — CID 83284147

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-13(16(21)18-7-12-22-2)19-8-10-20(11-9-19)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyTUXBMUUAZOZOMF-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.61
Rot. Bonds6

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 83284147) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID83284147
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-13(16(21)18-7-12-22-2)19-8-10-20(11-9-19)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyTUXBMUUAZOZOMF-UHFFFAOYSA-N
XLogP1.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 92987652
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037054
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide (CID 83284147) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is TUXBMUUAZOZOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-13(16(21)18-7-12-22-2)19-8-10-20(11-9-19)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 325.84 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 83284147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).