2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide

C26H27N3O3 — CID 17256713

IUPAC2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c1-2-32-24-15-9-7-13-22(24)25(30)27-23-14-8-6-12-21(23)26(31)29-18-16-28(17-19-29)20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H,27,30)
InChIKeySSODGNKIDFRTRR-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.30
Rot. Bonds6

About 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide

2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 17256713) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID17256713
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c1-2-32-24-15-9-7-13-22(24)25(30)27-23-14-8-6-12-21(23)26(31)29-18-16-28(17-19-29)20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H,27,30)
InChIKeySSODGNKIDFRTRR-UHFFFAOYSA-N
XLogP4.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926917
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622
2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide (CID 17256713) is 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is SSODGNKIDFRTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-2-32-24-15-9-7-13-22(24)25(30)27-23-14-8-6-12-21(23)26(31)29-18-16-28(17-19-29)20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H,27,30).
What are the key properties of 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17256713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).