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

C18H25F3N2O — CID 97092752

IUPACN-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC(F)(F)F
InChIInChI=1S/C18H25F3N2O/c1-13-10-23(12-15-6-4-3-5-7-15)11-14(2)17(13)22-16(24)8-9-18(19,20)21/h3-7,13-14,17H,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyMBMUSJSHTBPAGU-ZIAGYGMSSA-N
MW342.41 g/mol
LogP3.60
Rot. Bonds5

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

N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide (PubChem CID 97092752) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
PubChem CID97092752
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC(F)(F)F
InChIInChI=1S/C18H25F3N2O/c1-13-10-23(12-15-6-4-3-5-7-15)11-14(2)17(13)22-16(24)8-9-18(19,20)21/h3-7,13-14,17H,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyMBMUSJSHTBPAGU-ZIAGYGMSSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
CID 97226849
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
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
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
(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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide (CID 97092752) is N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide is C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide?
The InChIKey is MBMUSJSHTBPAGU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13-10-23(12-15-6-4-3-5-7-15)11-14(2)17(13)22-16(24)8-9-18(19,20)21/h3-7,13-14,17H,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide?
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide has a molecular weight of 342.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 97092752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).