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

C23H30N2O2 — CID 121141552

IUPAC3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C23H30N2O2/c1-17-6-7-19(15-18(17)2)8-13-23(26)24-20-9-11-21(12-10-20)25-14-4-5-22(16-25)27-3/h6-7,9-12,15,22H,4-5,8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyGSNRYYLPZYSLGJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.49
Rot. Bonds6

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

3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide (PubChem CID 121141552) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
PubChem CID121141552
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C23H30N2O2/c1-17-6-7-19(15-18(17)2)8-13-23(26)24-20-9-11-21(12-10-20)25-14-4-5-22(16-25)27-3/h6-7,9-12,15,22H,4-5,8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyGSNRYYLPZYSLGJ-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.49
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

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
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
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
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
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
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 97427618
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide (CID 121141552) is 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide is COC1CCCN(c2ccc(NC(=O)CCc3ccc(C)c(C)c3)cc2)C1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide?
The InChIKey is GSNRYYLPZYSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-6-7-19(15-18(17)2)8-13-23(26)24-20-9-11-21(12-10-20)25-14-4-5-22(16-25)27-3/h6-7,9-12,15,22H,4-5,8,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide?
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 121141552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).