1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide

C15H24F3N3O2 — CID 56811023

IUPAC1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O2/c1-10(20-6-3-5-12(9-20)15(16,17)18)14(23)21-7-2-4-11(8-21)13(19)22/h10-12H,2-9H2,1H3,(H2,19,22)
InChIKeyLFEOWARUXORBBZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide

1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 56811023) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
PubChem CID56811023
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O2/c1-10(20-6-3-5-12(9-20)15(16,17)18)14(23)21-7-2-4-11(8-21)13(19)22/h10-12H,2-9H2,1H3,(H2,19,22)
InChIKeyLFEOWARUXORBBZ-UHFFFAOYSA-N
XLogP1.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide (CID 56811023) is 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide is CC(C(=O)N1CCCC(C(N)=O)C1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is LFEOWARUXORBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-10(20-6-3-5-12(9-20)15(16,17)18)14(23)21-7-2-4-11(8-21)13(19)22/h10-12H,2-9H2,1H3,(H2,19,22).
What are the key properties of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 56811023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).