N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide

C22H28N2O2 — CID 90595766

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-17-4-3-5-18(16-17)6-11-22(25)23-19-7-9-20(10-8-19)24-14-12-21(26-2)13-15-24/h3-5,7-10,16,21H,6,11-15H2,1-2H3,(H,23,25)
InChIKeyYBTMOGKEPWFMDT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 90595766) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
PubChem CID90595766
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-17-4-3-5-18(16-17)6-11-22(25)23-19-7-9-20(10-8-19)24-14-12-21(26-2)13-15-24/h3-5,7-10,16,21H,6,11-15H2,1-2H3,(H,23,25)
InChIKeyYBTMOGKEPWFMDT-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
CID 90595771
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110666879
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
ethyl 4-[[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 42425569

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide (CID 90595766) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide is COC1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is YBTMOGKEPWFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-4-3-5-18(16-17)6-11-22(25)23-19-7-9-20(10-8-19)24-14-12-21(26-2)13-15-24/h3-5,7-10,16,21H,6,11-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 90595766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).