[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone

C24H26FN3O2 — CID 118726315

IUPAC[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C
InChIInChI=1S/C24H26FN3O2/c1-16-11-12-17(30-22-13-14-26-23-19(22)8-6-9-20(23)25)15-28(16)24(29)18-7-4-5-10-21(18)27(2)3/h4-10,13-14,16-17H,11-12,15H2,1-3H3/t16-,17-/m1/s1
InChIKeyPKBQHURCDKDCCN-IAGOWNOFSA-N
MW407.49 g/mol
LogP4.51
Rot. Bonds4

About [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone

[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone (PubChem CID 118726315) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone
PubChem CID118726315
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C
InChIInChI=1S/C24H26FN3O2/c1-16-11-12-17(30-22-13-14-26-23-19(22)8-6-9-20(23)25)15-28(16)24(29)18-7-4-5-10-21(18)27(2)3/h4-10,13-14,16-17H,11-12,15H2,1-3H3/t16-,17-/m1/s1
InChIKeyPKBQHURCDKDCCN-IAGOWNOFSA-N
XLogP4.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone (CID 118726315) is [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C.
What is the InChIKey of [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone?
The InChIKey is PKBQHURCDKDCCN-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16-11-12-17(30-22-13-14-26-23-19(22)8-6-9-20(23)25)15-28(16)24(29)18-7-4-5-10-21(18)27(2)3/h4-10,13-14,16-17H,11-12,15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone?
[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone has a molecular weight of 407.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 118726315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).