N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide

C21H25FN2O2 — CID 51113416

IUPACN-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
SMILESO=C(CCOc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25)
InChIKeyXVELYSOPCWQGBF-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.38
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide

N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide (PubChem CID 51113416) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
PubChem CID51113416
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
SMILESO=C(CCOc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25)
InChIKeyXVELYSOPCWQGBF-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide
CID 23041895
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide (CID 51113416) is N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide is O=C(CCOc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide?
The InChIKey is XVELYSOPCWQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide has a molecular weight of 356.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 51113416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).