3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

C22H25F3N2O — CID 109032580

IUPAC3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-6-8-20(9-7-19)26-21(28)12-15-27-13-10-18(11-14-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,26,28)
InChIKeyOUTLDXPHZWQIGE-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.99
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109032580) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109032580
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-6-8-20(9-7-19)26-21(28)12-15-27-13-10-18(11-14-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,26,28)
InChIKeyOUTLDXPHZWQIGE-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
5-(4-benzylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 69247813
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15312826
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109032580) is 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OUTLDXPHZWQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c23-22(24,25)19-6-8-20(9-7-19)26-21(28)12-15-27-13-10-18(11-14-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,26,28).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 390.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109032580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).