(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone

C22H26FN3O3 — CID 171142298

IUPAC(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1F
InChIInChI=1S/C22H26FN3O3/c1-28-19-4-3-16(13-18(19)23)22(27)25-11-7-17(8-12-25)26-14-20(29-2)21(26)15-5-9-24-10-6-15/h3-6,9-10,13,17,20-21H,7-8,11-12,14H2,1-2H3
InChIKeyKLXPBZMAPZGNSE-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.91
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone (PubChem CID 171142298) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
PubChem CID171142298
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1F
InChIInChI=1S/C22H26FN3O3/c1-28-19-4-3-16(13-18(19)23)22(27)25-11-7-17(8-12-25)26-14-20(29-2)21(26)15-5-9-24-10-6-15/h3-6,9-10,13,17,20-21H,7-8,11-12,14H2,1-2H3
InChIKeyKLXPBZMAPZGNSE-UHFFFAOYSA-N
XLogP2.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892538
(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142320
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
CID 171142299
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335596

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone (CID 171142298) is (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is KLXPBZMAPZGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-28-19-4-3-16(13-18(19)23)22(27)25-11-7-17(8-12-25)26-14-20(29-2)21(26)15-5-9-24-10-6-15/h3-6,9-10,13,17,20-21H,7-8,11-12,14H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 399.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171142298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).