3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide

C22H25FN2O2 — CID 108946418

IUPAC3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c23-20-8-6-19(7-9-20)16-24-21(26)15-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,26)
InChIKeyJEEZEHLSKZPMPM-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide

3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide (PubChem CID 108946418) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
PubChem CID108946418
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c23-20-8-6-19(7-9-20)16-24-21(26)15-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,26)
InChIKeyJEEZEHLSKZPMPM-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide (CID 108946418) is 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide is O=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide?
The InChIKey is JEEZEHLSKZPMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-8-6-19(7-9-20)16-24-21(26)15-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,26).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide?
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide has a molecular weight of 368.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide is sourced from PubChem (CID 108946418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).