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

C20H24ClN3O — CID 2091116

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O/c21-19-9-5-4-8-18(19)14-22-20(25)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyVDSLIABNMDMERF-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.77
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 2091116) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID2091116
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O/c21-19-9-5-4-8-18(19)14-22-20(25)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyVDSLIABNMDMERF-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.77
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-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 2091116) is 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is VDSLIABNMDMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-19-9-5-4-8-18(19)14-22-20(25)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 357.89 g/mol, XLogP of 2.77, 6 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-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2091116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).