2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide

C15H23F3N4O2 — CID 51084280

IUPAC2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C15H23F3N4O2/c1-11-5-3-4-9-22(11)13(23)20-7-6-14(24,15(16,17)18)12-19-8-10-21(12)2/h8,10-11,24H,3-7,9H2,1-2H3,(H,20,23)
InChIKeyYOGZFQJWVQJMKO-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide

2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide (PubChem CID 51084280) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide
PubChem CID51084280
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C15H23F3N4O2/c1-11-5-3-4-9-22(11)13(23)20-7-6-14(24,15(16,17)18)12-19-8-10-21(12)2/h8,10-11,24H,3-7,9H2,1-2H3,(H,20,23)
InChIKeyYOGZFQJWVQJMKO-UHFFFAOYSA-N
XLogP2.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide (CID 51084280) is 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide is CC1CCCCN1C(=O)NCCC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?
The InChIKey is YOGZFQJWVQJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-11-5-3-4-9-22(11)13(23)20-7-6-14(24,15(16,17)18)12-19-8-10-21(12)2/h8,10-11,24H,3-7,9H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?
2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide is sourced from PubChem (CID 51084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).