3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide

C16H24ClN3O — CID 71988833

IUPAC3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-13(14-3-5-15(17)6-4-14)20-11-9-19(10-12-20)8-7-16(21)18-2/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyJEJZXYNFDIIIJF-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.15
Rot. Bonds5

About 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide

3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 71988833) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID71988833
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-13(14-3-5-15(17)6-4-14)20-11-9-19(10-12-20)8-7-16(21)18-2/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyJEJZXYNFDIIIJF-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide (CID 71988833) is 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCN(C(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is JEJZXYNFDIIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-13(14-3-5-15(17)6-4-14)20-11-9-19(10-12-20)8-7-16(21)18-2/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide?
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 71988833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).