[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C19H23N3O2 — CID 24816839

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(C)nc3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-15(12-20-14)19(23)22-11-3-4-17(13-22)21-16-7-9-18(24-2)10-8-16/h5-10,12,17,21H,3-4,11,13H2,1-2H3
InChIKeyYETFUSXRCGVVGS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds4

About [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 24816839) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID24816839
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(C)nc3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-15(12-20-14)19(23)22-11-3-4-17(13-22)21-16-7-9-18(24-2)10-8-16/h5-10,12,17,21H,3-4,11,13H2,1-2H3
InChIKeyYETFUSXRCGVVGS-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 24816839) is [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(NC2CCCN(C(=O)c3ccc(C)nc3)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is YETFUSXRCGVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-6-15(12-20-14)19(23)22-11-3-4-17(13-22)21-16-7-9-18(24-2)10-8-16/h5-10,12,17,21H,3-4,11,13H2,1-2H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 24816839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).