(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C18H24ClFN2O2 — CID 90616295

IUPAC(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C18H24ClFN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-3-2-13(20)12-17(16)19/h2-3,12,14-15H,4-11H2,1H3
InChIKeyYRDLIHLRVOYXSW-UHFFFAOYSA-N
MW354.85 g/mol
LogP3.19
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616295) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616295
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C18H24ClFN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-3-2-13(20)12-17(16)19/h2-3,12,14-15H,4-11H2,1H3
InChIKeyYRDLIHLRVOYXSW-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616463
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 170991950
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156899
(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559064
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616295) is (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is YRDLIHLRVOYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-3-2-13(20)12-17(16)19/h2-3,12,14-15H,4-11H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 354.85 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).