N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide

C21H27N3O3 — CID 86985203

IUPACN-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-4-11-22-20(25)15-9-12-24(13-10-15)21(26)19-7-5-16-14-17(27-2)6-8-18(16)23-19/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLIKIJRNNTQNXIC-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.01
Rot. Bonds6

About N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide

N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide (PubChem CID 86985203) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
PubChem CID86985203
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-4-11-22-20(25)15-9-12-24(13-10-15)21(26)19-7-5-16-14-17(27-2)6-8-18(16)23-19/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLIKIJRNNTQNXIC-UHFFFAOYSA-N
XLogP3.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-1-(6-methoxyquinoline-2-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

N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
(4-hydroxyphenyl)-[1-(6-methoxyquinoline-2-carbonyl)piperidin-4-yl]methanone
CID 78836706
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002717
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744584
N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide
CID 30458840
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide (CID 86985203) is N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1.
What is the InChIKey of N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LIKIJRNNTQNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-4-11-22-20(25)15-9-12-24(13-10-15)21(26)19-7-5-16-14-17(27-2)6-8-18(16)23-19/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,25).
What are the key properties of N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide?
N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86985203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).