N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide

C17H23F3N2O — CID 97092747

IUPACN-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CC(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-12-9-22(11-14-6-4-3-5-7-14)10-13(2)16(12)21-15(23)8-17(18,19)20/h3-7,12-13,16H,8-11H2,1-2H3,(H,21,23)/t12-,13+,16?
InChIKeyVRZPLJKEJHTNEV-OCZCAGDBSA-N
MW328.38 g/mol
LogP3.21
Rot. Bonds4

About N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide

N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide (PubChem CID 97092747) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
PubChem CID97092747
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CC(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-12-9-22(11-14-6-4-3-5-7-14)10-13(2)16(12)21-15(23)8-17(18,19)20/h3-7,12-13,16H,8-11H2,1-2H3,(H,21,23)/t12-,13+,16?
InChIKeyVRZPLJKEJHTNEV-OCZCAGDBSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
CID 97226849
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124780262
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide (CID 97092747) is N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide is C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CC(F)(F)F.
What is the InChIKey of N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide?
The InChIKey is VRZPLJKEJHTNEV-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12-9-22(11-14-6-4-3-5-7-14)10-13(2)16(12)21-15(23)8-17(18,19)20/h3-7,12-13,16H,8-11H2,1-2H3,(H,21,23)/t12-,13+,16?.
What are the key properties of N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide?
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide has a molecular weight of 328.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 97092747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).