N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide

C20H26N4O2 — CID 91937744

IUPACN-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-17(25)22-18-6-8-19(9-7-18)26-16-4-11-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3,(H,22,25)
InChIKeyWHKHUSATVXGVFH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds7

About N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide

N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide (PubChem CID 91937744) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
PubChem CID91937744
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-17(25)22-18-6-8-19(9-7-18)26-16-4-11-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3,(H,22,25)
InChIKeyWHKHUSATVXGVFH-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide (CID 91937744) is N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The InChIKey is WHKHUSATVXGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-17(25)22-18-6-8-19(9-7-18)26-16-4-11-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3,(H,22,25).
What are the key properties of N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 91937744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).