N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide

C16H23F5N2O3 — CID 164604386

IUPACN-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H23F5N2O3/c1-10(26-9-14(3-4-14)16(19,20)21)12(22-11(2)24)13(25)23-7-5-15(17,18)6-8-23/h10,12H,3-9H2,1-2H3,(H,22,24)
InChIKeyVNPUKEFLWCLWOK-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide

N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide (PubChem CID 164604386) has the molecular formula C16H23F5N2O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
PubChem CID164604386
Molecular FormulaC16H23F5N2O3
Molecular Weight386.36 g/mol
Exact Mass386.16
IUPAC NameN-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H23F5N2O3/c1-10(26-9-14(3-4-14)16(19,20)21)12(22-11(2)24)13(25)23-7-5-15(17,18)6-8-23/h10,12H,3-9H2,1-2H3,(H,22,24)
InChIKeyVNPUKEFLWCLWOK-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
The IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide (CID 164604386) is N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
The canonical SMILES for N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
The InChIKey is VNPUKEFLWCLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5N2O3/c1-10(26-9-14(3-4-14)16(19,20)21)12(22-11(2)24)13(25)23-7-5-15(17,18)6-8-23/h10,12H,3-9H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide?
N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide has a molecular weight of 386.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide is sourced from PubChem (CID 164604386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).