2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide

C21H26ClN3O — CID 22194707

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl
InChIInChI=1S/C21H26ClN3O/c1-17(18-7-3-2-4-8-18)23-21(26)16-25-13-11-24(12-14-25)15-19-9-5-6-10-20(19)22/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyHRKSRPRWEDRRAI-UHFFFAOYSA-N
MW371.90 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 22194707) has the molecular formula C21H26ClN3O and a molecular weight of 371.90 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID22194707
Molecular FormulaC21H26ClN3O
Molecular Weight371.90 g/mol
Exact Mass371.18
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl
InChIInChI=1S/C21H26ClN3O/c1-17(18-7-3-2-4-8-18)23-21(26)16-25-13-11-24(12-14-25)15-19-9-5-6-10-20(19)22/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyHRKSRPRWEDRRAI-UHFFFAOYSA-N
XLogP3.40
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity433

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 22194707) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is HRKSRPRWEDRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-17(18-7-3-2-4-8-18)23-21(26)16-25-13-11-24(12-14-25)15-19-9-5-6-10-20(19)22/h2-10,17H,11-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 371.90 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22194707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).