N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide

C21H28N4O — CID 164618028

IUPACN-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-18(26)23-20-10-8-19(9-11-20)6-3-5-13-24-14-16-25(17-15-24)21-7-2-4-12-22-21/h2,4,7-12H,3,5-6,13-17H2,1H3,(H,23,26)
InChIKeyKQZXADGECOXBKU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.18
Rot. Bonds7

About N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide

N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide (PubChem CID 164618028) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide
PubChem CID164618028
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-18(26)23-20-10-8-19(9-11-20)6-3-5-13-24-14-16-25(17-15-24)21-7-2-4-12-22-21/h2,4,7-12H,3,5-6,13-17H2,1H3,(H,23,26)
InChIKeyKQZXADGECOXBKU-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]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-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide (CID 164618028) is N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide is CC(=O)Nc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide?
The InChIKey is KQZXADGECOXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-18(26)23-20-10-8-19(9-11-20)6-3-5-13-24-14-16-25(17-15-24)21-7-2-4-12-22-21/h2,4,7-12H,3,5-6,13-17H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide?
N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide is sourced from PubChem (CID 164618028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).