N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide

C21H26FN3O — CID 124755302

IUPACN-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@H]1CCc1ccccn1)Nc1ccccc1F
InChIInChI=1S/C21H26FN3O/c22-19-9-1-2-10-20(19)24-21(26)13-16-25-15-6-4-8-18(25)12-11-17-7-3-5-14-23-17/h1-3,5,7,9-10,14,18H,4,6,8,11-13,15-16H2,(H,24,26)/t18-/m0/s1
InChIKeyQBZBBRBLKRJECY-SFHVURJKSA-N
MW355.46 g/mol
LogP4.04
Rot. Bonds7

About N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide

N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide (PubChem CID 124755302) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
PubChem CID124755302
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@H]1CCc1ccccn1)Nc1ccccc1F
InChIInChI=1S/C21H26FN3O/c22-19-9-1-2-10-20(19)24-21(26)13-16-25-15-6-4-8-18(25)12-11-17-7-3-5-14-23-17/h1-3,5,7,9-10,14,18H,4,6,8,11-13,15-16H2,(H,24,26)/t18-/m0/s1
InChIKeyQBZBBRBLKRJECY-SFHVURJKSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 91842321
N-pyridin-3-yl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124756224
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654769
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
CID 124846378
2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 114289600
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide (CID 124755302) is N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide is O=C(CCN1CCCC[C@H]1CCc1ccccn1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide?
The InChIKey is QBZBBRBLKRJECY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-19-9-1-2-10-20(19)24-21(26)13-16-25-15-6-4-8-18(25)12-11-17-7-3-5-14-23-17/h1-3,5,7,9-10,14,18H,4,6,8,11-13,15-16H2,(H,24,26)/t18-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide?
N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124755302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).