[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone

C19H23N3O — CID 24791009

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccccn3)C2)cc1C
InChIInChI=1S/C19H23N3O/c1-14-8-9-16(12-15(14)2)21-17-6-5-11-22(13-17)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,17,21H,5-6,11,13H2,1-2H3
InChIKeyVARKGHPLNMDBCS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.42
Rot. Bonds3

About [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 24791009) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID24791009
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccccn3)C2)cc1C
InChIInChI=1S/C19H23N3O/c1-14-8-9-16(12-15(14)2)21-17-6-5-11-22(13-17)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,17,21H,5-6,11,13H2,1-2H3
InChIKeyVARKGHPLNMDBCS-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone (CID 24791009) is [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone is Cc1ccc(NC2CCCN(C(=O)c3ccccn3)C2)cc1C.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is VARKGHPLNMDBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-8-9-16(12-15(14)2)21-17-6-5-11-22(13-17)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,17,21H,5-6,11,13H2,1-2H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 24791009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).