N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide

C19H23N3O — CID 960610

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16(23)20-18-7-9-19(10-8-18)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyIRDOUSKKLZRXNR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.97
Rot. Bonds4

About N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide (PubChem CID 960610) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
PubChem CID960610
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16(23)20-18-7-9-19(10-8-18)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyIRDOUSKKLZRXNR-UHFFFAOYSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide (CID 960610) is N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is IRDOUSKKLZRXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16(23)20-18-7-9-19(10-8-18)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 960610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).