N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide

C21H27N3O2 — CID 3033717

IUPACN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
InChIKeyKYJSZRFHGZEXQS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds7

About N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide

N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide (PubChem CID 3033717) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
PubChem CID3033717
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
InChIKeyKYJSZRFHGZEXQS-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide (CID 3033717) is N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The InChIKey is KYJSZRFHGZEXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25).
What are the key properties of N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 3033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).