N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2 — CID 63875004

IUPACN-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-3-8-18(10-13(14,15)16)12(19)9-20-11-4-6-17-7-5-11/h11,17H,2-10H2,1H3
InChIKeyGMNAUJIPAFWCJZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.95
Rot. Bonds7

About N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63875004) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63875004
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-3-8-18(10-13(14,15)16)12(19)9-20-11-4-6-17-7-5-11/h11,17H,2-10H2,1H3
InChIKeyGMNAUJIPAFWCJZ-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-2-(4-piperidinyloxy)acetamide
CID 20298099
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2-Methyl-6-(trifluoromethyl)morpholin-3-one
CID 73994585
N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
CID 73994911
(2S)-8-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 164639470
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
1-(3,3-Difluoroazetidin-1-yl)-2-(piperidin-4-yloxy)ethanone
CID 57791813
4-(Trifluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783899
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
N,N-dimethyl-2-(piperidin-4-yloxy)acetamide trifluoroacetate
CID 68877154
[2-(Dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate
CID 69027483
N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 75501672

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 63875004) is N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)COC1CCNCC1.
What is the InChIKey of N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GMNAUJIPAFWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-3-8-18(10-13(14,15)16)12(19)9-20-11-4-6-17-7-5-11/h11,17H,2-10H2,1H3.
What are the key properties of N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63875004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).