[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C20H25N3O3 — CID 24793020

IUPAC[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cccc(C)n3)C2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-6-4-8-17(21-14)20(24)23-11-5-7-16(13-23)22-15-9-10-18(25-2)19(12-15)26-3/h4,6,8-10,12,16,22H,5,7,11,13H2,1-3H3
InChIKeyHMXXFNYBCPRWBS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.12
Rot. Bonds5

About [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 24793020) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID24793020
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cccc(C)n3)C2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-6-4-8-17(21-14)20(24)23-11-5-7-16(13-23)22-15-9-10-18(25-2)19(12-15)26-3/h4,6,8-10,12,16,22H,5,7,11,13H2,1-3H3
InChIKeyHMXXFNYBCPRWBS-UHFFFAOYSA-N
XLogP3.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 24793020) is [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is COc1ccc(NC2CCCN(C(=O)c3cccc(C)n3)C2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is HMXXFNYBCPRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-4-8-17(21-14)20(24)23-11-5-7-16(13-23)22-15-9-10-18(25-2)19(12-15)26-3/h4,6,8-10,12,16,22H,5,7,11,13H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 24793020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).