N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide

C15H23F3N2O3 — CID 170758203

IUPACN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide
SMILESCC(OCC1(C(F)(F)F)CC1)C(NC=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H23F3N2O3/c1-11(23-9-14(5-6-14)15(16,17)18)12(19-10-21)13(22)20-7-3-2-4-8-20/h10-12H,2-9H2,1H3,(H,19,21)
InChIKeyJGNTYYKGOPTXLI-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.86
Rot. Bonds7

About N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide

N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide (PubChem CID 170758203) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide
PubChem CID170758203
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC NameN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide
SMILESCC(OCC1(C(F)(F)F)CC1)C(NC=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H23F3N2O3/c1-11(23-9-14(5-6-14)15(16,17)18)12(19-10-21)13(22)20-7-3-2-4-8-20/h10-12H,2-9H2,1H3,(H,19,21)
InChIKeyJGNTYYKGOPTXLI-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide?
The IUPAC name of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide (CID 170758203) is N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide.
What is the SMILES notation for N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide?
The canonical SMILES for N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide is CC(OCC1(C(F)(F)F)CC1)C(NC=O)C(=O)N1CCCCC1.
What is the InChIKey of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide?
The InChIKey is JGNTYYKGOPTXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-11(23-9-14(5-6-14)15(16,17)18)12(19-10-21)13(22)20-7-3-2-4-8-20/h10-12H,2-9H2,1H3,(H,19,21).
What are the key properties of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide?
N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide has a molecular weight of 336.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide is sourced from PubChem (CID 170758203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).