[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

C23H24N2O2 — CID 46978422

IUPAC[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)c1
InChIInChI=1S/C23H24N2O2/c1-16-6-5-7-19(14-16)27-18-10-12-25(13-11-18)23(26)22-15-17(2)20-8-3-4-9-21(20)24-22/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeySZTOCJBEVCOXJK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.54
Rot. Bonds3

About [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (PubChem CID 46978422) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
PubChem CID46978422
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)c1
InChIInChI=1S/C23H24N2O2/c1-16-6-5-7-19(14-16)27-18-10-12-25(13-11-18)23(26)22-15-17(2)20-8-3-4-9-21(20)24-22/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeySZTOCJBEVCOXJK-UHFFFAOYSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (CID 46978422) is [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is Cc1cccc(OC2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)c1.
What is the InChIKey of [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The InChIKey is SZTOCJBEVCOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-6-5-7-19(14-16)27-18-10-12-25(13-11-18)23(26)22-15-17(2)20-8-3-4-9-21(20)24-22/h3-9,14-15,18H,10-13H2,1-2H3.
What are the key properties of [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 46978422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).