N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide

C20H27F3N2O2 — CID 23723871

IUPACN-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C20H27F3N2O2/c1-24(15-17-5-3-2-4-6-17)18(26)8-7-16-10-13-25(14-11-16)19(27)9-12-20(21,22)23/h2-6,16H,7-15H2,1H3
InChIKeyFQMOZLREXUULSG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.01
Rot. Bonds7

About N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide (PubChem CID 23723871) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide
PubChem CID23723871
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C20H27F3N2O2/c1-24(15-17-5-3-2-4-6-17)18(26)8-7-16-10-13-25(14-11-16)19(27)9-12-20(21,22)23/h2-6,16H,7-15H2,1H3
InChIKeyFQMOZLREXUULSG-UHFFFAOYSA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide (CID 23723871) is N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide?
The InChIKey is FQMOZLREXUULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-24(15-17-5-3-2-4-6-17)18(26)8-7-16-10-13-25(14-11-16)19(27)9-12-20(21,22)23/h2-6,16H,7-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 23723871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).