2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C25H25N3O3 — CID 17018898

IUPAC2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O3/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29)
InChIKeyRKJCIZILYCOLFC-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.67
Rot. Bonds6

About 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 17018898) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID17018898
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O3/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29)
InChIKeyRKJCIZILYCOLFC-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 7126525
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 17018898) is 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is O=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is RKJCIZILYCOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29).
What are the key properties of 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17018898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).