3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride

C17H26Cl2F3N3O2 — CID 119847133

IUPAC3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCc1cccnc1OCC(F)(F)F)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H24F3N3O2.2ClH/c1-12(13-4-2-6-21-9-13)8-15(24)23-10-14-5-3-7-22-16(14)25-11-17(18,19)20;;/h3,5,7,12-13,21H,2,4,6,8-11H2,1H3,(H,23,24);2*1H
InChIKeyGSSPKJLXCHBANN-UHFFFAOYSA-N
MW432.31 g/mol
LogP3.51
Rot. Bonds7

About 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride

3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride (PubChem CID 119847133) has the molecular formula C17H26Cl2F3N3O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
PubChem CID119847133
Molecular FormulaC17H26Cl2F3N3O2
Molecular Weight432.31 g/mol
Exact Mass431.14
IUPAC Name3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCc1cccnc1OCC(F)(F)F)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H24F3N3O2.2ClH/c1-12(13-4-2-6-21-9-13)8-15(24)23-10-14-5-3-7-22-16(14)25-11-17(18,19)20;;/h3,5,7,12-13,21H,2,4,6,8-11H2,1H3,(H,23,24);2*1H
InChIKeyGSSPKJLXCHBANN-UHFFFAOYSA-N
XLogP3.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride with MolForge

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119846768

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride (CID 119847133) is 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride is CC(CC(=O)NCc1cccnc1OCC(F)(F)F)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The InChIKey is GSSPKJLXCHBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2.2ClH/c1-12(13-4-2-6-21-9-13)8-15(24)23-10-14-5-3-7-22-16(14)25-11-17(18,19)20;;/h3,5,7,12-13,21H,2,4,6,8-11H2,1H3,(H,23,24);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride has a molecular weight of 432.31 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119847133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).