N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide

C26H32N2O4 — CID 45200068

IUPACN-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)CCC(=O)c3ccccc3)C2)c(C)c1
InChIInChI=1S/C26H32N2O4/c1-19-17-22(32-2)11-12-23(19)27-25(30)14-10-20-7-6-16-28(18-20)26(31)15-13-24(29)21-8-4-3-5-9-21/h3-5,8-9,11-12,17,20H,6-7,10,13-16,18H2,1-2H3,(H,27,30)
InChIKeyJIAOJLAZNVNBAI-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.62
Rot. Bonds9

About N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide (PubChem CID 45200068) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
PubChem CID45200068
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)CCC(=O)c3ccccc3)C2)c(C)c1
InChIInChI=1S/C26H32N2O4/c1-19-17-22(32-2)11-12-23(19)27-25(30)14-10-20-7-6-16-28(18-20)26(31)15-13-24(29)21-8-4-3-5-9-21/h3-5,8-9,11-12,17,20H,6-7,10,13-16,18H2,1-2H3,(H,27,30)
InChIKeyJIAOJLAZNVNBAI-UHFFFAOYSA-N
XLogP4.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25486755
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45193218
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide
CID 26409779

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide (CID 45200068) is N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CCC2CCCN(C(=O)CCC(=O)c3ccccc3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide?
The InChIKey is JIAOJLAZNVNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-19-17-22(32-2)11-12-23(19)27-25(30)14-10-20-7-6-16-28(18-20)26(31)15-13-24(29)21-8-4-3-5-9-21/h3-5,8-9,11-12,17,20H,6-7,10,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide has a molecular weight of 436.55 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45200068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).