1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

C18H33FN2O2 — CID 156707530

IUPAC1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCC(OC2CCN(C(=O)C(C)C)CC2)C(F)C1
InChIInChI=1S/C18H33FN2O2/c1-13(2)11-20-8-7-17(16(19)12-20)23-15-5-9-21(10-6-15)18(22)14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyOACCZYYYTGSSQY-UHFFFAOYSA-N
MW328.47 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 156707530) has the molecular formula C18H33FN2O2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID156707530
Molecular FormulaC18H33FN2O2
Molecular Weight328.47 g/mol
Exact Mass328.25
IUPAC Name1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CCC(OC2CCN(C(=O)C(C)C)CC2)C(F)C1
InChIInChI=1S/C18H33FN2O2/c1-13(2)11-20-8-7-17(16(19)12-20)23-15-5-9-21(10-6-15)18(22)14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyOACCZYYYTGSSQY-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 156707654
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde
CID 156707450
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307
[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
CID 138648412
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
ethane;(E)-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]pent-2-en-1-one
CID 156707517
[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate
CID 67426496
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (CID 156707530) is 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is CC(C)CN1CCC(OC2CCN(C(=O)C(C)C)CC2)C(F)C1.
What is the InChIKey of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OACCZYYYTGSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O2/c1-13(2)11-20-8-7-17(16(19)12-20)23-15-5-9-21(10-6-15)18(22)14(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 328.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 156707530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).