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

C22H28N2O4S — CID 71809774

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C22H28N2O4S/c1-28-20-4-3-15-24(16-20)19-10-8-18(9-11-19)23-22(25)14-7-17-5-12-21(13-6-17)29(2,26)27/h5-6,8-13,20H,3-4,7,14-16H2,1-2H3,(H,23,25)
InChIKeyICUZCMPCKZWBLA-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.28
Rot. Bonds7

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

N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 71809774) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID71809774
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C22H28N2O4S/c1-28-20-4-3-15-24(16-20)19-10-8-18(9-11-19)23-22(25)14-7-17-5-12-21(13-6-17)29(2,26)27/h5-6,8-13,20H,3-4,7,14-16H2,1-2H3,(H,23,25)
InChIKeyICUZCMPCKZWBLA-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide (CID 71809774) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide is COC1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is ICUZCMPCKZWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-4-3-15-24(16-20)19-10-8-18(9-11-19)23-22(25)14-7-17-5-12-21(13-6-17)29(2,26)27/h5-6,8-13,20H,3-4,7,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 71809774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).