2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide

C20H25N3O2 — CID 2729859

IUPAC2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c21-20(24)18-9-4-5-10-19(18)25-16-6-11-22-12-14-23(15-13-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,21,24)
InChIKeyGBSHKERFECNDBW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.38
Rot. Bonds7

About 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide

2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide (PubChem CID 2729859) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide.

Molecular Properties

Compound Name2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide
PubChem CID2729859
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c21-20(24)18-9-4-5-10-19(18)25-16-6-11-22-12-14-23(15-13-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,21,24)
InChIKeyGBSHKERFECNDBW-UHFFFAOYSA-N
XLogP2.38
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.38
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 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide?
The IUPAC name of 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide (CID 2729859) is 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide.
What is the SMILES notation for 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide?
The canonical SMILES for 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide?
The InChIKey is GBSHKERFECNDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-20(24)18-9-4-5-10-19(18)25-16-6-11-22-12-14-23(15-13-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,21,24).
What are the key properties of 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide?
2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpiperazin-1-yl)propoxy]benzamide is sourced from PubChem (CID 2729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).