2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide

C20H23N3O3 — CID 25218489

IUPAC2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C20H23N3O3/c21-19(24)17-6-1-2-7-18(17)26-13-8-15-4-3-5-16(14-15)20(25)23-11-9-22-10-12-23/h1-7,14,22H,8-13H2,(H2,21,24)
InChIKeyJLQAPOMVNMZQSX-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.45
Rot. Bonds6

About 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide

2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide (PubChem CID 25218489) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
PubChem CID25218489
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C20H23N3O3/c21-19(24)17-6-1-2-7-18(17)26-13-8-15-4-3-5-16(14-15)20(25)23-11-9-22-10-12-23/h1-7,14,22H,8-13H2,(H2,21,24)
InChIKeyJLQAPOMVNMZQSX-UHFFFAOYSA-N
XLogP1.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The IUPAC name of 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide (CID 25218489) is 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The canonical SMILES for 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide is NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The InChIKey is JLQAPOMVNMZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-19(24)17-6-1-2-7-18(17)26-13-8-15-4-3-5-16(14-15)20(25)23-11-9-22-10-12-23/h1-7,14,22H,8-13H2,(H2,21,24).
What are the key properties of 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide has a molecular weight of 353.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide is sourced from PubChem (CID 25218489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).