N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide

C26H29N3O5 — CID 55469276

IUPACN-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H29N3O5/c1-27-25(30)16-9-11-29(12-10-16)26(31)19-15-21(28-20-8-6-5-7-18(19)20)17-13-22(32-2)24(34-4)23(14-17)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
InChIKeyQQHMLICJOWZOHY-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide

N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (PubChem CID 55469276) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
PubChem CID55469276
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H29N3O5/c1-27-25(30)16-9-11-29(12-10-16)26(31)19-15-21(28-20-8-6-5-7-18(19)20)17-13-22(32-2)24(34-4)23(14-17)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
InChIKeyQQHMLICJOWZOHY-UHFFFAOYSA-N
XLogP3.53
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-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

[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
CID 166185301
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
CID 2082718
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 55314439
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (CID 55469276) is N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CC1.
What is the InChIKey of N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is QQHMLICJOWZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-27-25(30)16-9-11-29(12-10-16)26(31)19-15-21(28-20-8-6-5-7-18(19)20)17-13-22(32-2)24(34-4)23(14-17)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30).
What are the key properties of N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55469276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).