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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Related Compounds

cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone
CID 138654789
cyclopropyl-[4-[4-(6-methoxyquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 155010934
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413
1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
CID 156702349
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
1-[4-[4-(3-chloroisoquinolin-6-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde
CID 175122744
3-cyclopropyl-1-[4-[4-(1-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 153119674
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362

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).