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

C16H25F3N2O3 — CID 164604257

IUPACN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O3/c1-11(24-10-15(6-7-15)16(17,18)19)13(20-12(2)22)14(23)21-8-4-3-5-9-21/h11,13H,3-10H2,1-2H3,(H,20,22)
InChIKeyLBKNOOYBTWYQTD-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.25
Rot. Bonds6

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

N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide (PubChem CID 164604257) has the molecular formula C16H25F3N2O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
PubChem CID164604257
Molecular FormulaC16H25F3N2O3
Molecular Weight350.38 g/mol
Exact Mass350.18
IUPAC NameN-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O3/c1-11(24-10-15(6-7-15)16(17,18)19)13(20-12(2)22)14(23)21-8-4-3-5-9-21/h11,13H,3-10H2,1-2H3,(H,20,22)
InChIKeyLBKNOOYBTWYQTD-UHFFFAOYSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]acetamide?
The IUPAC name of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide (CID 164604257) is N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
The canonical SMILES for N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1(C(F)(F)F)CC1.
What is the InChIKey of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
The InChIKey is LBKNOOYBTWYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O3/c1-11(24-10-15(6-7-15)16(17,18)19)13(20-12(2)22)14(23)21-8-4-3-5-9-21/h11,13H,3-10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.25, 6 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]acetamide is sourced from PubChem (CID 164604257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).