ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide

C15H29F3N2O3 — CID 86776925

IUPACethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
SMILESCC.CC.CC1CCC(C(N)=O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3.2C2H6/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14;2*1-2/h7-8H,2-6H2,1H3,(H2,15,18);2*1-2H3
InChIKeyCWTWNWVLVOGDIU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.73
Rot. Bonds4

About ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide

ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide (PubChem CID 86776925) has the molecular formula C15H29F3N2O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
PubChem CID86776925
Molecular FormulaC15H29F3N2O3
Molecular Weight342.40 g/mol
Exact Mass342.21
IUPAC Nameethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
SMILESCC.CC.CC1CCC(C(N)=O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3.2C2H6/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14;2*1-2/h7-8H,2-6H2,1H3,(H2,15,18);2*1-2H3
InChIKeyCWTWNWVLVOGDIU-UHFFFAOYSA-N
XLogP2.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
CID 174339054
(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 94164989
N-cyclohexyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 56165257
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 80079647
6-Methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 86776926
(3R,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 95045306
(3S,6R)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 95232916
(3S,6S)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 95232917
(3R,6S)-6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 95232918
1-[3-Methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205301
1-[4-(Ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide (CID 86776925) is ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide is CC.CC.CC1CCC(C(N)=O)CN1C(=O)COCC(F)(F)F.
What is the InChIKey of ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is CWTWNWVLVOGDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3.2C2H6/c1-7-2-3-8(10(15)18)4-16(7)9(17)5-19-6-11(12,13)14;2*1-2/h7-8H,2-6H2,1H3,(H2,15,18);2*1-2H3.
What are the key properties of ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide?
ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 86776925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).