cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone

C25H26N2O2 — CID 163996154

IUPACcyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
SMILESCc1cc2cc(-c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)ccc2cn1
InChIInChI=1S/C25H26N2O2/c1-17-14-22-15-20(4-5-21(22)16-26-17)18-6-8-23(9-7-18)29-24-10-12-27(13-11-24)25(28)19-2-3-19/h4-9,14-16,19,24H,2-3,10-13H2,1H3
InChIKeyUEWCUFRAPUOLQO-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.99
Rot. Bonds4

About cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone (PubChem CID 163996154) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
PubChem CID163996154
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Namecyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
SMILESCc1cc2cc(-c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)ccc2cn1
InChIInChI=1S/C25H26N2O2/c1-17-14-22-15-20(4-5-21(22)16-26-17)18-6-8-23(9-7-18)29-24-10-12-27(13-11-24)25(28)19-2-3-19/h4-9,14-16,19,24H,2-3,10-13H2,1H3
InChIKeyUEWCUFRAPUOLQO-UHFFFAOYSA-N
XLogP4.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone (CID 163996154) is cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone is Cc1cc2cc(-c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)ccc2cn1.
What is the InChIKey of cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is UEWCUFRAPUOLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17-14-22-15-20(4-5-21(22)16-26-17)18-6-8-23(9-7-18)29-24-10-12-27(13-11-24)25(28)19-2-3-19/h4-9,14-16,19,24H,2-3,10-13H2,1H3.
What are the key properties of cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 163996154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).