3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide

C22H26N2O3 — CID 108952152

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-10-6-5-9-19(20)23-21(25)16-22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25)
InChIKeyYFRNLJJJWKUOCP-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide

3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide (PubChem CID 108952152) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
PubChem CID108952152
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-10-6-5-9-19(20)23-21(25)16-22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25)
InChIKeyYFRNLJJJWKUOCP-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)-3-oxopropanamide
CID 108952160
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
CID 42697179
methyl 3-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952168
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000628
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
CID 108952134
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide (CID 108952152) is 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide is COc1ccccc1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide?
The InChIKey is YFRNLJJJWKUOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-10-6-5-9-19(20)23-21(25)16-22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide?
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 108952152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).