cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride

C25H27ClN2O2 — CID 156702415

IUPACcyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
SMILESCc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cc2ncccc12.Cl
InChIInChI=1S/C25H26N2O2.ClH/c1-17-15-20(16-24-23(17)3-2-12-26-24)18-6-8-21(9-7-18)29-22-10-13-27(14-11-22)25(28)19-4-5-19;/h2-3,6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1H3;1H
InChIKeyBCXFNFULFRLICU-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.41
Rot. Bonds4

About cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride

cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride (PubChem CID 156702415) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
PubChem CID156702415
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC Namecyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
SMILESCc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cc2ncccc12.Cl
InChIInChI=1S/C25H26N2O2.ClH/c1-17-15-20(16-24-23(17)3-2-12-26-24)18-6-8-21(9-7-18)29-22-10-13-27(14-11-22)25(28)19-4-5-19;/h2-3,6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1H3;1H
InChIKeyBCXFNFULFRLICU-UHFFFAOYSA-N
XLogP5.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride (CID 156702415) is cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride is Cc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cc2ncccc12.Cl.
What is the InChIKey of cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is BCXFNFULFRLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2.ClH/c1-17-15-20(16-24-23(17)3-2-12-26-24)18-6-8-21(9-7-18)29-22-10-13-27(14-11-22)25(28)19-4-5-19;/h2-3,6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1H3;1H.
What are the key properties of cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride?
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 156702415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).