3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide

C17H22F3N3O — CID 118304412

IUPAC3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
SMILESN[C@@H]1C[C@H]1c1cccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)10-23-6-4-13(5-7-23)22-16(24)12-3-1-2-11(8-12)14-9-15(14)21/h1-3,8,13-15H,4-7,9-10,21H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyIGXLWLSCNRTJTG-LSDHHAIUSA-N
MW341.38 g/mol
LogP2.26
Rot. Bonds4

About 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide

3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide (PubChem CID 118304412) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
PubChem CID118304412
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
SMILESN[C@@H]1C[C@H]1c1cccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)10-23-6-4-13(5-7-23)22-16(24)12-3-1-2-11(8-12)14-9-15(14)21/h1-3,8,13-15H,4-7,9-10,21H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyIGXLWLSCNRTJTG-LSDHHAIUSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
CID 139384305
2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 67007292
methyl 3-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]pyrimidin-2-yl]benzoate
CID 67006710
3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
CID 60604981
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 74234190
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
3-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
CID 71979281

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide (CID 118304412) is 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide is N[C@@H]1C[C@H]1c1cccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide?
The InChIKey is IGXLWLSCNRTJTG-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-17(19,20)10-23-6-4-13(5-7-23)22-16(24)12-3-1-2-11(8-12)14-9-15(14)21/h1-3,8,13-15H,4-7,9-10,21H2,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide?
3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide has a molecular weight of 341.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 118304412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).