4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

C14H20ClN3O2 — CID 47442442

IUPAC4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyXEEKQAAXTGKYPC-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 47442442) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID47442442
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyXEEKQAAXTGKYPC-UHFFFAOYSA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037054
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 47442442) is 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is XEEKQAAXTGKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47442442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).