4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide

C23H28N2O3 — CID 18107404

IUPAC4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-6-12-22(28-2)20(16-17)21(26)11-13-23(27)24-18-7-9-19(10-8-18)25-14-4-3-5-15-25/h6-10,12,16H,3-5,11,13-15H2,1-2H3,(H,24,27)
InChIKeyPRLFGRMNAOXEDN-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.60
Rot. Bonds7

About 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 18107404) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID18107404
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-6-12-22(28-2)20(16-17)21(26)11-13-23(27)24-18-7-9-19(10-8-18)25-14-4-3-5-15-25/h6-10,12,16H,3-5,11,13-15H2,1-2H3,(H,24,27)
InChIKeyPRLFGRMNAOXEDN-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 1406329
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide (CID 18107404) is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is PRLFGRMNAOXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-6-12-22(28-2)20(16-17)21(26)11-13-23(27)24-18-7-9-19(10-8-18)25-14-4-3-5-15-25/h6-10,12,16H,3-5,11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide?
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 18107404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).