[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone

C20H22ClFN2O3 — CID 166338931

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone
SMILESCC(C)Oc1nccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1F
InChIInChI=1S/C20H22ClFN2O3/c1-13(2)26-19-18(22)17(7-10-23-19)20(25)24-11-8-16(9-12-24)27-15-5-3-14(21)4-6-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyJNESEWCHKPYSJF-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.34
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone (PubChem CID 166338931) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone
PubChem CID166338931
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone
SMILESCC(C)Oc1nccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1F
InChIInChI=1S/C20H22ClFN2O3/c1-13(2)26-19-18(22)17(7-10-23-19)20(25)24-11-8-16(9-12-24)27-15-5-3-14(21)4-6-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyJNESEWCHKPYSJF-UHFFFAOYSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone with MolForge

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
CID 166281491
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanone
CID 166294062
(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119133482
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone (CID 166338931) is [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone is CC(C)Oc1nccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1F.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone?
The InChIKey is JNESEWCHKPYSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13(2)26-19-18(22)17(7-10-23-19)20(25)24-11-8-16(9-12-24)27-15-5-3-14(21)4-6-15/h3-7,10,13,16H,8-9,11-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone has a molecular weight of 392.86 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone is sourced from PubChem (CID 166338931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).