2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide

C21H20FN3O2 — CID 174472871

IUPAC2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide
SMILESN#Cc1cccc(NC(=O)C(=O)N2CCC(F)(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H20FN3O2/c22-21(14-16-5-2-1-3-6-16)9-11-25(12-10-21)20(27)19(26)24-18-8-4-7-17(13-18)15-23/h1-8,13H,9-12,14H2,(H,24,26)
InChIKeyOBIDIRMXQRCWCC-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide

2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide (PubChem CID 174472871) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide
PubChem CID174472871
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide
SMILESN#Cc1cccc(NC(=O)C(=O)N2CCC(F)(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H20FN3O2/c22-21(14-16-5-2-1-3-6-16)9-11-25(12-10-21)20(27)19(26)24-18-8-4-7-17(13-18)15-23/h1-8,13H,9-12,14H2,(H,24,26)
InChIKeyOBIDIRMXQRCWCC-UHFFFAOYSA-N
XLogP3.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25498632
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide
CID 108986775
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
(Z)-4-(3-cyanoanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63267169
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide (CID 174472871) is 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide is N#Cc1cccc(NC(=O)C(=O)N2CCC(F)(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide?
The InChIKey is OBIDIRMXQRCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-21(14-16-5-2-1-3-6-16)9-11-25(12-10-21)20(27)19(26)24-18-8-4-7-17(13-18)15-23/h1-8,13H,9-12,14H2,(H,24,26).
What are the key properties of 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide?
2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide has a molecular weight of 365.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide is sourced from PubChem (CID 174472871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).