N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C20H26FN3O2 — CID 91948689

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NC2CN3CCC2CC3)C1c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-23-18(25)7-6-16(19(23)14-2-4-15(21)5-3-14)20(26)22-17-12-24-10-8-13(17)9-11-24/h2-5,13,16-17,19H,6-12H2,1H3,(H,22,26)
InChIKeyCOMMOZNGKWWPFI-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.95
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 91948689) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID91948689
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NC2CN3CCC2CC3)C1c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-23-18(25)7-6-16(19(23)14-2-4-15(21)5-3-14)20(26)22-17-12-24-10-8-13(17)9-11-24/h2-5,13,16-17,19H,6-12H2,1H3,(H,22,26)
InChIKeyCOMMOZNGKWWPFI-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 75538262
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97457753

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 91948689) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NC2CN3CCC2CC3)C1c1ccc(F)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is COMMOZNGKWWPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-23-18(25)7-6-16(19(23)14-2-4-15(21)5-3-14)20(26)22-17-12-24-10-8-13(17)9-11-24/h2-5,13,16-17,19H,6-12H2,1H3,(H,22,26).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 91948689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).