1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

C20H37FN2O2 — CID 165372730

IUPAC1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C20H37FN2O2/c1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyNBAGUVOFEOEETI-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 165372730) has the molecular formula C20H37FN2O2 and a molecular weight of 356.53 g/mol. Its IUPAC name is 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID165372730
Molecular FormulaC20H37FN2O2
Molecular Weight356.53 g/mol
Exact Mass356.28
IUPAC Name1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C20H37FN2O2/c1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyNBAGUVOFEOEETI-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 156707654
1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 165372738
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 166459386
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one
CID 174254854
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 165372730) is 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1.
What is the InChIKey of 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is NBAGUVOFEOEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN2O2/c1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 356.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 165372730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).