N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C17H24F3N3O — CID 119919979

IUPACN-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC1CCCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O/c1-21-15-8-5-9-22(11-15)12-16(24)23(13-17(18,19)20)10-14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3
InChIKeyXXNXQZWLYOKOQZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 119919979) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID119919979
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC1CCCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O/c1-21-15-8-5-9-22(11-15)12-16(24)23(13-17(18,19)20)10-14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3
InChIKeyXXNXQZWLYOKOQZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920388
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919099
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 119919979) is N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CNC1CCCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1.
What is the InChIKey of N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XXNXQZWLYOKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-21-15-8-5-9-22(11-15)12-16(24)23(13-17(18,19)20)10-14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3.
What are the key properties of N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 119919979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).