(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

C23H33N3O3 — CID 11553091

IUPAC(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCOC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1
InChIInChI=1S/C23H33N3O3/c1-16(2)25-10-8-19(9-11-25)29-20-4-5-21-17(14-20)15-22(24-21)23(27)26-12-6-18(28-3)7-13-26/h4-5,14-16,18-19,24H,6-13H2,1-3H3
InChIKeyWKMRKBPUKMGAQZ-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.67
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (PubChem CID 11553091) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
PubChem CID11553091
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCOC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1
InChIInChI=1S/C23H33N3O3/c1-16(2)25-10-8-19(9-11-25)29-20-4-5-21-17(14-20)15-22(24-21)23(27)26-12-6-18(28-3)7-13-26/h4-5,14-16,18-19,24H,6-13H2,1-3H3
InChIKeyWKMRKBPUKMGAQZ-UHFFFAOYSA-N
XLogP3.67
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (CID 11553091) is (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is COC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The InChIKey is WKMRKBPUKMGAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-16(2)25-10-8-19(9-11-25)29-20-4-5-21-17(14-20)15-22(24-21)23(27)26-12-6-18(28-3)7-13-26/h4-5,14-16,18-19,24H,6-13H2,1-3H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone has a molecular weight of 399.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 11553091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).