N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide

C17H25FN2O — CID 83034283

IUPACN-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(NC(=O)C(C)(C)C1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-12(13-6-4-8-15(18)10-13)20-16(21)17(2,3)14-7-5-9-19-11-14/h4,6,8,10,12,14,19H,5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyIRNGJAGWDLHMLF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide

N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83034283) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83034283
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(NC(=O)C(C)(C)C1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-12(13-6-4-8-15(18)10-13)20-16(21)17(2,3)14-7-5-9-19-11-14/h4,6,8,10,12,14,19H,5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyIRNGJAGWDLHMLF-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83200384
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200389
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
2-(3-fluorophenyl)-N-piperidin-3-ylpropanamide
CID 119424683
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 81366459
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 83034283) is N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is CC(NC(=O)C(C)(C)C1CCCNC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is IRNGJAGWDLHMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(13-6-4-8-15(18)10-13)20-16(21)17(2,3)14-7-5-9-19-11-14/h4,6,8,10,12,14,19H,5,7,9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83034283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).