6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C21H27N3O2 — CID 109153028

IUPAC6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H27N3O2/c1-26-14-11-22-21(25)19-7-8-20(23-16-19)24-12-9-18(10-13-24)15-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,25)
InChIKeyJLABGSTUYSJRHP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.92
Rot. Bonds7

About 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153028) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153028
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H27N3O2/c1-26-14-11-22-21(25)19-7-8-20(23-16-19)24-12-9-18(10-13-24)15-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,25)
InChIKeyJLABGSTUYSJRHP-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-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

5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133330872
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153028) is 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JLABGSTUYSJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-14-11-22-21(25)19-7-8-20(23-16-19)24-12-9-18(10-13-24)15-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,25).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).