2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C14H26F3N3O2 — CID 95327768

IUPAC2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-11(21)7-20-5-3-12(4-6-20)8-19(2)9-13(22)18-10-14(15,16)17/h11-12,21H,3-10H2,1-2H3,(H,18,22)/t11-/m1/s1
InChIKeyXDMVFZDNFVTAAB-LLVKDONJSA-N
MW325.38 g/mol
LogP0.69
Rot. Bonds7

About 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95327768) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95327768
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-11(21)7-20-5-3-12(4-6-20)8-19(2)9-13(22)18-10-14(15,16)17/h11-12,21H,3-10H2,1-2H3,(H,18,22)/t11-/m1/s1
InChIKeyXDMVFZDNFVTAAB-LLVKDONJSA-N
XLogP0.69
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
2-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53590642
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 42913823
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide
CID 56802556
1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide
CID 87717741
2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109
N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 138612292
2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
CID 138612298
(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 143709555

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 95327768) is 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H](O)CN1CCC(CN(C)CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XDMVFZDNFVTAAB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-11(21)7-20-5-3-12(4-6-20)8-19(2)9-13(22)18-10-14(15,16)17/h11-12,21H,3-10H2,1-2H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 325.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95327768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).