2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C22H29N3O2 — CID 71889674

IUPAC2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(COC1CCCCC1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C22H29N3O2/c26-22(16-27-17-7-3-1-4-8-17)24-20-9-10-21(25-13-5-2-6-14-25)18-11-12-23-15-19(18)20/h9-12,15,17H,1-8,13-14,16H2,(H,24,26)
InChIKeyUBXMCUXHAPCZRG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.51
Rot. Bonds5

About 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 71889674) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID71889674
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(COC1CCCCC1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C22H29N3O2/c26-22(16-27-17-7-3-1-4-8-17)24-20-9-10-21(25-13-5-2-6-14-25)18-11-12-23-15-19(18)20/h9-12,15,17H,1-8,13-14,16H2,(H,24,26)
InChIKeyUBXMCUXHAPCZRG-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 71889674) is 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(COC1CCCCC1)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is UBXMCUXHAPCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-22(16-27-17-7-3-1-4-8-17)24-20-9-10-21(25-13-5-2-6-14-25)18-11-12-23-15-19(18)20/h9-12,15,17H,1-8,13-14,16H2,(H,24,26).
What are the key properties of 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 71889674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).