1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide

C15H25F3N2O3 — CID 97251769

IUPAC1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N[C@H](CC)[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-3-5-12(21)20-8-6-10(7-9-20)14(23)19-11(4-2)13(22)15(16,17)18/h10-11,13,22H,3-9H2,1-2H3,(H,19,23)/t11-,13+/m1/s1
InChIKeyCMFBBYVTVGTEMS-YPMHNXCESA-N
MW338.37 g/mol
LogP1.84
Rot. Bonds6

About 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide

1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide (PubChem CID 97251769) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
PubChem CID97251769
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N[C@H](CC)[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-3-5-12(21)20-8-6-10(7-9-20)14(23)19-11(4-2)13(22)15(16,17)18/h10-11,13,22H,3-9H2,1-2H3,(H,19,23)/t11-,13+/m1/s1
InChIKeyCMFBBYVTVGTEMS-YPMHNXCESA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide (CID 97251769) is 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)N[C@H](CC)[C@H](O)C(F)(F)F)CC1.
What is the InChIKey of 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide?
The InChIKey is CMFBBYVTVGTEMS-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-3-5-12(21)20-8-6-10(7-9-20)14(23)19-11(4-2)13(22)15(16,17)18/h10-11,13,22H,3-9H2,1-2H3,(H,19,23)/t11-,13+/m1/s1.
What are the key properties of 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide?
1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[(2S,3R)-1,1,1-trifluoro-2-hydroxypentan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 97251769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).