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

C22H26N2O3 — CID 108952153

IUPAC3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)CC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(15-20)23-21(25)16-22(26)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,23,25)
InChIKeyWYOZHGIFQXRGLJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds6

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

3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide (PubChem CID 108952153) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
PubChem CID108952153
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)CC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(15-20)23-21(25)16-22(26)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,23,25)
InChIKeyWYOZHGIFQXRGLJ-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

methyl 3-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952168
3-(4-benzylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)-3-oxopropanamide
CID 108952160
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109140261
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108948151
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
CID 108952134
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide (CID 108952153) is 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide is COc1cccc(NC(=O)CC(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide?
The InChIKey is WYOZHGIFQXRGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-9-5-8-19(15-20)23-21(25)16-22(26)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,23,25).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide?
3-(4-benzylpiperidin-1-yl)-N-(3-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-(3-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 108952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).