3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C22H28N2O2 — CID 55573308

IUPAC3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-17-6-11-21(16-18(17)2)26-15-12-22(25)23-19-7-9-20(10-8-19)24-13-4-3-5-14-24/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,25)
InChIKeyJLPVGVSHDANNQS-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.70
Rot. Bonds6

About 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 55573308) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID55573308
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-17-6-11-21(16-18(17)2)26-15-12-22(25)23-19-7-9-20(10-8-19)24-13-4-3-5-14-24/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,25)
InChIKeyJLPVGVSHDANNQS-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(3-methylphenoxy)propanoate
CID 7840372
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188926
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112974029
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 55573308) is 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is JLPVGVSHDANNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-6-11-21(16-18(17)2)26-15-12-22(25)23-19-7-9-20(10-8-19)24-13-4-3-5-14-24/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 55573308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).