(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine

C10H15F3N4O — CID 71276167

IUPAC(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2nc(C(C)(F)F)no2)C[C@@H]1F
InChIInChI=1S/C10H15F3N4O/c1-10(12,13)8-15-9(18-16-8)17-4-3-7(14-2)6(11)5-17/h6-7,14H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyKCYJGNZSTKFATF-NKWVEPMBSA-N
MW264.25 g/mol
LogP1.32
Rot. Bonds3

About (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine

(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine (PubChem CID 71276167) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine
PubChem CID71276167
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2nc(C(C)(F)F)no2)C[C@@H]1F
InChIInChI=1S/C10H15F3N4O/c1-10(12,13)8-15-9(18-16-8)17-4-3-7(14-2)6(11)5-17/h6-7,14H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyKCYJGNZSTKFATF-NKWVEPMBSA-N
XLogP1.32
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 67641517
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)morpholine
CID 58523596
N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106660047
6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 170788989
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
2-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]-N-[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 144535423
N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
CID 155956034
8-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]azepan-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 146279241
5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 87111307
2-[3-amino-4-(2-fluoro-5-methylphenyl)pyrrolidin-1-yl]-N-[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-methylpyrimidine-5-carboxamide
CID 78047246
5-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-methylpyrazine-2-carboxamide
CID 71509060

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine?
The IUPAC name of (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine (CID 71276167) is (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine is CN[C@@H]1CCN(c2nc(C(C)(F)F)no2)C[C@@H]1F.
What is the InChIKey of (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine?
The InChIKey is KCYJGNZSTKFATF-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-10(12,13)8-15-9(18-16-8)17-4-3-7(14-2)6(11)5-17/h6-7,14H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine?
(3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine is sourced from PubChem (CID 71276167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).