(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone

C14H21N3O — CID 62166241

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H21N3O/c1-10-7-11(2)9-17(8-10)14(18)12-5-4-6-16-13(12)15-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyWVPIWISXHFYLFL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.24
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 62166241) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID62166241
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H21N3O/c1-10-7-11(2)9-17(8-10)14(18)12-5-4-6-16-13(12)15-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyWVPIWISXHFYLFL-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone (CID 62166241) is (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is WVPIWISXHFYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-11(2)9-17(8-10)14(18)12-5-4-6-16-13(12)15-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16).
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62166241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).