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

C20H25N3O2 — CID 863795

IUPACN-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-7-18(8-10-19)23-13-11-22(12-14-23)16-20(24)21-15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyWEOSRTIRRQOCIY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.13
Rot. Bonds6

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

N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 863795) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID863795
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-7-18(8-10-19)23-13-11-22(12-14-23)16-20(24)21-15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyWEOSRTIRRQOCIY-UHFFFAOYSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 863795) is N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is WEOSRTIRRQOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-9-7-18(8-10-19)23-13-11-22(12-14-23)16-20(24)21-15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 863795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).