2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide

C19H22ClN3O — CID 856024

IUPAC2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-19(24)15-23-11-9-22(10-12-23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyAMZDXYMVLUSNAP-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 856024) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID856024
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-19(24)15-23-11-9-22(10-12-23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyAMZDXYMVLUSNAP-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide (CID 856024) is 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is AMZDXYMVLUSNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-19(24)15-23-11-9-22(10-12-23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).