N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide

C18H30F2N2O3 — CID 170755478

IUPACN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H30F2N2O3/c1-13(25-12-15-6-4-3-5-7-15)16(21-14(2)23)17(24)22-10-8-18(19,20)9-11-22/h13,15-16H,3-12H2,1-2H3,(H,21,23)
InChIKeyQROLJRANLUGWKU-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide

N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 170755478) has the molecular formula C18H30F2N2O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
PubChem CID170755478
Molecular FormulaC18H30F2N2O3
Molecular Weight360.45 g/mol
Exact Mass360.22
IUPAC NameN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H30F2N2O3/c1-13(25-12-15-6-4-3-5-7-15)16(21-14(2)23)17(24)22-10-8-18(19,20)9-11-22/h13,15-16H,3-12H2,1-2H3,(H,21,23)
InChIKeyQROLJRANLUGWKU-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide (CID 170755478) is N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is QROLJRANLUGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2O3/c1-13(25-12-15-6-4-3-5-7-15)16(21-14(2)23)17(24)22-10-8-18(19,20)9-11-22/h13,15-16H,3-12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 170755478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).