(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

C24H33N3O3 — CID 11654491

IUPAC(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1
InChIInChI=1S/C24H33N3O3/c1-17(2)26-12-10-20(11-13-26)30-21-5-7-22-18(16-21)4-6-23(25-22)24(28)27-14-8-19(29-3)9-15-27/h4-7,16-17,19-20H,8-15H2,1-3H3
InChIKeyJYDUVGYVGMGTOV-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.74
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (PubChem CID 11654491) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
PubChem CID11654491
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1
InChIInChI=1S/C24H33N3O3/c1-17(2)26-12-10-20(11-13-26)30-21-5-7-22-18(16-21)4-6-23(25-22)24(28)27-14-8-19(29-3)9-15-27/h4-7,16-17,19-20H,8-15H2,1-3H3
InChIKeyJYDUVGYVGMGTOV-UHFFFAOYSA-N
XLogP3.74
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (CID 11654491) is (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The InChIKey is JYDUVGYVGMGTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17(2)26-12-10-20(11-13-26)30-21-5-7-22-18(16-21)4-6-23(25-22)24(28)27-14-8-19(29-3)9-15-27/h4-7,16-17,19-20H,8-15H2,1-3H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone has a molecular weight of 411.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is sourced from PubChem (CID 11654491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).