[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone

C18H20ClFN2O2 — CID 156811442

IUPAC[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(COC2=C(Cl)C=CCC2)cn1)N1CCC(F)CC1
InChIInChI=1S/C18H20ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1,3,5-6,11,14H,2,4,7-10,12H2
InChIKeyAHNLYQCWHBZBBE-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.97
Rot. Bonds4

About [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone

[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811442) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811442
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(COC2=C(Cl)C=CCC2)cn1)N1CCC(F)CC1
InChIInChI=1S/C18H20ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1,3,5-6,11,14H,2,4,7-10,12H2
InChIKeyAHNLYQCWHBZBBE-UHFFFAOYSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone with MolForge

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Related Compounds

[5-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210731
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-(5-phenylmethoxy-2-pyridinyl)methanone
CID 138030993
(5-chloro-2-pyridinyl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133132576
[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119663041
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63724908

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone (CID 156811442) is [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone is O=C(c1ccc(COC2=C(Cl)C=CCC2)cn1)N1CCC(F)CC1.
What is the InChIKey of [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is AHNLYQCWHBZBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1,3,5-6,11,14H,2,4,7-10,12H2.
What are the key properties of [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
[5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 350.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).