N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C22H29FN2O2 — CID 98512887

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C22H29FN2O2/c1-14(20-13-15-2-3-18(20)12-15)24-21(26)16-8-10-25(11-9-16)22(27)17-4-6-19(23)7-5-17/h4-7,14-16,18,20H,2-3,8-13H2,1H3,(H,24,26)/t14-,15+,18+,20-/m1/s1
InChIKeyRJRLFRZPHMGDFA-HCCHORAYSA-N
MW372.48 g/mol
LogP3.62
Rot. Bonds4

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 98512887) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID98512887
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C22H29FN2O2/c1-14(20-13-15-2-3-18(20)12-15)24-21(26)16-8-10-25(11-9-16)22(27)17-4-6-19(23)7-5-17/h4-7,14-16,18,20H,2-3,8-13H2,1H3,(H,24,26)/t14-,15+,18+,20-/m1/s1
InChIKeyRJRLFRZPHMGDFA-HCCHORAYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 98496024
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 43008993
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55363627
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
CID 43009333
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
1-(3-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 46561024
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 4884408
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43009015
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 129376970
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 98512887) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is RJRLFRZPHMGDFA-HCCHORAYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-14(20-13-15-2-3-18(20)12-15)24-21(26)16-8-10-25(11-9-16)22(27)17-4-6-19(23)7-5-17/h4-7,14-16,18,20H,2-3,8-13H2,1H3,(H,24,26)/t14-,15+,18+,20-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 98512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).