N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide

C20H27F3N2O2 — CID 45217660

IUPACN,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyDFYKJWAUQNAFLS-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.74
Rot. Bonds6

About N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide

N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide (PubChem CID 45217660) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
PubChem CID45217660
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyDFYKJWAUQNAFLS-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide (CID 45217660) is N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide is CN(C)C(=O)CCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The InChIKey is DFYKJWAUQNAFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide has a molecular weight of 384.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-4-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 45217660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).