3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide

C22H26N2O3 — CID 91903809

IUPAC3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(16-20)23-21(25)11-10-17-12-14-24(15-13-17)22(26)18-6-3-2-4-7-18/h2-9,16-17H,10-15H2,1H3,(H,23,25)
InChIKeyBLLZVWVMEYMJTK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.97
Rot. Bonds6

About 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide

3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 91903809) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID91903809
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(16-20)23-21(25)11-10-17-12-14-24(15-13-17)22(26)18-6-3-2-4-7-18/h2-9,16-17H,10-15H2,1H3,(H,23,25)
InChIKeyBLLZVWVMEYMJTK-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide (CID 91903809) is 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is BLLZVWVMEYMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(16-20)23-21(25)11-10-17-12-14-24(15-13-17)22(26)18-6-3-2-4-7-18/h2-9,16-17H,10-15H2,1H3,(H,23,25).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 91903809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).