N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide

C18H30F2N2O4 — CID 164604855

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H30F2N2O4/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22/h12,14-16,24H,3-11H2,1-2H3,(H,21,23)
InChIKeyYCESTIBRMDYGGA-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.71
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 164604855) has the molecular formula C18H30F2N2O4 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide
PubChem CID164604855
Molecular FormulaC18H30F2N2O4
Molecular Weight376.44 g/mol
Exact Mass376.22
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H30F2N2O4/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22/h12,14-16,24H,3-11H2,1-2H3,(H,21,23)
InChIKeyYCESTIBRMDYGGA-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide (CID 164604855) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is YCESTIBRMDYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2O4/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22/h12,14-16,24H,3-11H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 164604855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).