N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

C19H22ClN3O — CID 6470463

IUPACN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)23-11-9-22(10-12-23)15-19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyUADHEJVCPNHYJQ-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.78
Rot. Bonds5

About N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 6470463) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID6470463
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)23-11-9-22(10-12-23)15-19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyUADHEJVCPNHYJQ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 6470463) is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is UADHEJVCPNHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)23-11-9-22(10-12-23)15-19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24).
What are the key properties of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).