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

C20H27F3N4O2 — CID 51036090

IUPAC2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESN[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)14-5-8-25-17(12-14)26-18(28)11-13-6-9-27(10-7-13)19(29)15-3-1-2-4-16(15)24/h5,8,12-13,15-16H,1-4,6-7,9-11,24H2,(H,25,26,28)/t15-,16-/m0/s1
InChIKeyRRYMXMWJAVNWHH-HOTGVXAUSA-N
MW412.46 g/mol
LogP3.19
Rot. Bonds4

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

2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 51036090) 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-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID51036090
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC Name2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESN[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)14-5-8-25-17(12-14)26-18(28)11-13-6-9-27(10-7-13)19(29)15-3-1-2-4-16(15)24/h5,8,12-13,15-16H,1-4,6-7,9-11,24H2,(H,25,26,28)/t15-,16-/m0/s1
InChIKeyRRYMXMWJAVNWHH-HOTGVXAUSA-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

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

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Related Compounds

2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 51035887
1-[1-[(1R,2R)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 158023619
2-[1-[(1R,2R)-2-aminocyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51036694
3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 70897245
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330690
N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolidine-3-carboxamide
CID 123713117
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 51036090) is 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is RRYMXMWJAVNWHH-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c21-20(22,23)14-5-8-25-17(12-14)26-18(28)11-13-6-9-27(10-7-13)19(29)15-3-1-2-4-16(15)24/h5,8,12-13,15-16H,1-4,6-7,9-11,24H2,(H,25,26,28)/t15-,16-/m0/s1.
What are the key properties of 2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 51036090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).