2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide

C20H30F3N3O — CID 56718790

IUPAC2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
SMILESCN(C)CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H30F3N3O/c1-24(2)15-19(27)25(3)13-17-7-5-10-26(14-17)11-9-16-6-4-8-18(12-16)20(21,22)23/h4,6,8,12,17H,5,7,9-11,13-15H2,1-3H3
InChIKeyXUROOCWVTHWYTL-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.98
Rot. Bonds7

About 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide

2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide (PubChem CID 56718790) has the molecular formula C20H30F3N3O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
PubChem CID56718790
Molecular FormulaC20H30F3N3O
Molecular Weight385.47 g/mol
Exact Mass385.23
IUPAC Name2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
SMILESCN(C)CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H30F3N3O/c1-24(2)15-19(27)25(3)13-17-7-5-10-26(14-17)11-9-16-6-4-8-18(12-16)20(21,22)23/h4,6,8,12,17H,5,7,9-11,13-15H2,1-3H3
InChIKeyXUROOCWVTHWYTL-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
2-[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]acetic acid
CID 97268510
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 42593796
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
CID 97278455
2-chloro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 45194918
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 42462311

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide (CID 56718790) is 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide is CN(C)CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is XUROOCWVTHWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O/c1-24(2)15-19(27)25(3)13-17-7-5-10-26(14-17)11-9-16-6-4-8-18(12-16)20(21,22)23/h4,6,8,12,17H,5,7,9-11,13-15H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56718790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).