3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide

C20H26N4O3 — CID 48812935

IUPAC3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)Nc2cccc3cccnc23)C1
InChIInChI=1S/C20H26N4O3/c1-14-8-9-16(19(25)22-11-12-27-2)13-24(14)20(26)23-17-7-3-5-15-6-4-10-21-18(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPUZNSQFXZXUJRN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.63
Rot. Bonds5

About 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide

3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide (PubChem CID 48812935) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
PubChem CID48812935
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)Nc2cccc3cccnc23)C1
InChIInChI=1S/C20H26N4O3/c1-14-8-9-16(19(25)22-11-12-27-2)13-24(14)20(26)23-17-7-3-5-15-6-4-10-21-18(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPUZNSQFXZXUJRN-UHFFFAOYSA-N
XLogP2.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95733928
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide (CID 48812935) is 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide is COCCNC(=O)C1CCC(C)N(C(=O)Nc2cccc3cccnc23)C1.
What is the InChIKey of 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide?
The InChIKey is PUZNSQFXZXUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-8-9-16(19(25)22-11-12-27-2)13-24(14)20(26)23-17-7-3-5-15-6-4-10-21-18(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide?
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 48812935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).