[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C21H23ClFN3O3 — CID 133345932

IUPAC[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O3/c22-19-13-15(21(27)26-9-11-28-12-10-26)14-24-20(19)25-7-5-18(6-8-25)29-17-3-1-16(23)2-4-17/h1-4,13-14,18H,5-12H2
InChIKeyIYPROFJEKNOMER-UHFFFAOYSA-N
MW419.88 g/mol
LogP3.39
Rot. Bonds4

About [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133345932) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133345932
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC Name[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O3/c22-19-13-15(21(27)26-9-11-28-12-10-26)14-24-20(19)25-7-5-18(6-8-25)29-17-3-1-16(23)2-4-17/h1-4,13-14,18H,5-12H2
InChIKeyIYPROFJEKNOMER-UHFFFAOYSA-N
XLogP3.39
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10319071
[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133345844
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
[5-chloro-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133300707
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
[6-(5-bromo-1,3-dihydroisoindol-2-yl)-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133471711
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133345932) is [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is IYPROFJEKNOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c22-19-13-15(21(27)26-9-11-28-12-10-26)14-24-20(19)25-7-5-18(6-8-25)29-17-3-1-16(23)2-4-17/h1-4,13-14,18H,5-12H2.
What are the key properties of [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 419.88 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133345932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).