(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone

C24H26N2O2 — CID 3466025

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O2/c1-16-12-17(2)15-26(14-16)24(27)21-13-23(18-8-10-19(28-3)11-9-18)25-22-7-5-4-6-20(21)22/h4-11,13,16-17H,12,14-15H2,1-3H3
InChIKeyBBMXKTSRVFGBSD-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.03
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone (PubChem CID 3466025) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
PubChem CID3466025
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O2/c1-16-12-17(2)15-26(14-16)24(27)21-13-23(18-8-10-19(28-3)11-9-18)25-22-7-5-4-6-20(21)22/h4-11,13,16-17H,12,14-15H2,1-3H3
InChIKeyBBMXKTSRVFGBSD-UHFFFAOYSA-N
XLogP5.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone (CID 3466025) is (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is BBMXKTSRVFGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-12-17(2)15-26(14-16)24(27)21-13-23(18-8-10-19(28-3)11-9-18)25-22-7-5-4-6-20(21)22/h4-11,13,16-17H,12,14-15H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 374.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 3466025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).