N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide

C20H27N3O2 — CID 111429581

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCCN3CCC(O)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-14-4-5-19-16(12-14)13-18(15(2)22-19)20(25)21-8-3-9-23-10-6-17(24)7-11-23/h4-5,12-13,17,24H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyIWTFXGAOJISRFC-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 111429581) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID111429581
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCCN3CCC(O)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-14-4-5-19-16(12-14)13-18(15(2)22-19)20(25)21-8-3-9-23-10-6-17(24)7-11-23/h4-5,12-13,17,24H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyIWTFXGAOJISRFC-UHFFFAOYSA-N
XLogP2.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide 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

6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155331858
2,6-dimethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]quinoline-3-carboxamide
CID 55867665
N-(3-benzylsulfonylpropyl)-2,6-dimethylquinoline-3-carboxamide
CID 55841810
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
CID 119392326
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide (CID 111429581) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCCCN3CCC(O)CC3)cc2c1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is IWTFXGAOJISRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-4-5-19-16(12-14)13-18(15(2)22-19)20(25)21-8-3-9-23-10-6-17(24)7-11-23/h4-5,12-13,17,24H,3,6-11H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 111429581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).