3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

C22H25F3N2O2 — CID 55945762

IUPAC3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCCOc1cccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C22H25F3N2O2/c1-2-29-20-8-4-6-17(14-20)21(28)26-19-9-11-27(12-10-19)15-16-5-3-7-18(13-16)22(23,24)25/h3-8,13-14,19H,2,9-12,15H2,1H3,(H,26,28)
InChIKeyZFSPYMVFQQWSCZ-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.50
Rot. Bonds6

About 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 55945762) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID55945762
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCCOc1cccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C22H25F3N2O2/c1-2-29-20-8-4-6-17(14-20)21(28)26-19-9-11-27(12-10-19)15-16-5-3-7-18(13-16)22(23,24)25/h3-8,13-14,19H,2,9-12,15H2,1H3,(H,26,28)
InChIKeyZFSPYMVFQQWSCZ-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide
CID 12942336

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 55945762) is 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is CCOc1cccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is ZFSPYMVFQQWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-2-29-20-8-4-6-17(14-20)21(28)26-19-9-11-27(12-10-19)15-16-5-3-7-18(13-16)22(23,24)25/h3-8,13-14,19H,2,9-12,15H2,1H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55945762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).