4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide

C21H25N3O3 — CID 110812902

IUPAC4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-8-9-19(27-2)17(14-16)15-20(25)23-10-12-24(13-11-23)21(26)22-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyWYSUPMDPGBEKHP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.92
Rot. Bonds4

About 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 110812902) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID110812902
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-8-9-19(27-2)17(14-16)15-20(25)23-10-12-24(13-11-23)21(26)22-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyWYSUPMDPGBEKHP-UHFFFAOYSA-N
XLogP2.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110812906
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813956
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 27237321

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide (CID 110812902) is 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide is COc1ccc(C)cc1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is WYSUPMDPGBEKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-8-9-19(27-2)17(14-16)15-20(25)23-10-12-24(13-11-23)21(26)22-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).