2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C20H27F3N4O2 — CID 51035887

IUPAC2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESN[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)16-6-3-7-17(25-16)26-18(28)12-13-8-10-27(11-9-13)19(29)14-4-1-2-5-15(14)24/h3,6-7,13-15H,1-2,4-5,8-12,24H2,(H,25,26,28)/t14-,15-/m0/s1
InChIKeyCEMUDMQFTYYPDI-GJZGRUSLSA-N
MW412.46 g/mol
LogP3.19
Rot. Bonds4

About 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide

2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 51035887) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID51035887
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC Name2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESN[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)16-6-3-7-17(25-16)26-18(28)12-13-8-10-27(11-9-13)19(29)14-4-1-2-5-15(14)24/h3,6-7,13-15H,1-2,4-5,8-12,24H2,(H,25,26,28)/t14-,15-/m0/s1
InChIKeyCEMUDMQFTYYPDI-GJZGRUSLSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
CID 71506872
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223604
2-[4-(methanesulfonamido)-3-methylphenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224446
Benzeneacetamide, 3-fluoro-alpha-methyl-N-[[2-(4-methyl-1-piperidinyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-4-[(methylsulfonyl)amino]-, (alphaS)-
CID 16225451
(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25063559
N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873299
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoropiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873556
N-[[2-(3,5-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873563
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl]methyl]propanamide
CID 58873745
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873760

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 51035887) is 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide is N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is CEMUDMQFTYYPDI-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c21-20(22,23)16-6-3-7-17(25-16)26-18(28)12-13-8-10-27(11-9-13)19(29)14-4-1-2-5-15(14)24/h3,6-7,13-15H,1-2,4-5,8-12,24H2,(H,25,26,28)/t14-,15-/m0/s1.
What are the key properties of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 412.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 51035887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).