3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide

C22H28N2O3 — CID 26689927

IUPAC3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-14-17(15-21(16-20)27-2)6-11-22(25)23-18-7-9-19(10-8-18)24-12-4-3-5-13-24/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,23,25)
InChIKeyAITRDOVDXULGOO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.27
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 26689927) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID26689927
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-14-17(15-21(16-20)27-2)6-11-22(25)23-18-7-9-19(10-8-18)24-12-4-3-5-13-24/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,23,25)
InChIKeyAITRDOVDXULGOO-UHFFFAOYSA-N
XLogP4.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 1406329
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 35344493
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide (CID 26689927) is 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is AITRDOVDXULGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-14-17(15-21(16-20)27-2)6-11-22(25)23-18-7-9-19(10-8-18)24-12-4-3-5-13-24/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 26689927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).