2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide

C15H19F3N2O — CID 158389197

IUPAC2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-5-7-20(8-6-13)10-11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,19,21)
InChIKeyKCZRYRZFIMIOMU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.56
Rot. Bonds4

About 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide

2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 158389197) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID158389197
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-5-7-20(8-6-13)10-11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,19,21)
InChIKeyKCZRYRZFIMIOMU-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide (CID 158389197) is 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide is CC(F)(F)C(=O)NC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is KCZRYRZFIMIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-5-7-20(8-6-13)10-11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,19,21).
What are the key properties of 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide?
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 158389197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).