N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C20H28F3N3O — CID 45281619

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-7-4-10-26(14-17)15-19(27)24-18-8-11-25(12-9-18)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,24,27)
InChIKeyFNVCHDXPNYSLNN-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.04
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 45281619) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID45281619
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-7-4-10-26(14-17)15-19(27)24-18-8-11-25(12-9-18)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,24,27)
InChIKeyFNVCHDXPNYSLNN-UHFFFAOYSA-N
XLogP3.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-(2-benzoylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27224348
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 45281619) is N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(C(F)(F)F)C1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is FNVCHDXPNYSLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c21-20(22,23)17-7-4-10-26(14-17)15-19(27)24-18-8-11-25(12-9-18)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 45281619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).