2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

C22H32FN3O3 — CID 171143923

IUPAC2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CCC(C(=O)NCCN2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C22H32FN3O3/c1-29-16-15-26-20(27)10-9-19(21(26)17-5-7-18(23)8-6-17)22(28)24-11-14-25-12-3-2-4-13-25/h5-8,19,21H,2-4,9-16H2,1H3,(H,24,28)
InChIKeyIKEYGBYADBALRM-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.35
Rot. Bonds8

About 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 171143923) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID171143923
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CCC(C(=O)NCCN2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C22H32FN3O3/c1-29-16-15-26-20(27)10-9-19(21(26)17-5-7-18(23)8-6-17)22(28)24-11-14-25-12-3-2-4-13-25/h5-8,19,21H,2-4,9-16H2,1H3,(H,24,28)
InChIKeyIKEYGBYADBALRM-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
N-cyclopropyl-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 171143816
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide;formic acid
CID 171688373
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087175
(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 127244533
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982
(2S,3R)-2-(4-cyanophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 95300167

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 171143923) is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is COCCN1C(=O)CCC(C(=O)NCCN2CCCCC2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is IKEYGBYADBALRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-29-16-15-26-20(27)10-9-19(21(26)17-5-7-18(23)8-6-17)22(28)24-11-14-25-12-3-2-4-13-25/h5-8,19,21H,2-4,9-16H2,1H3,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171143923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).