2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

C21H23FN2O2 — CID 46294982

IUPAC2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-6-17(7-9-19)15-23-20(25)14-16-10-12-24(13-11-16)21(26)18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,25)
InChIKeyQBXUVWAUSPHPLF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.38
Rot. Bonds5

About 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 46294982) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID46294982
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-6-17(7-9-19)15-23-20(25)14-16-10-12-24(13-11-16)21(26)18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,25)
InChIKeyQBXUVWAUSPHPLF-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 46294982) is 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QBXUVWAUSPHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-8-6-17(7-9-19)15-23-20(25)14-16-10-12-24(13-11-16)21(26)18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,25).
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).