1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one

C21H28N4O — CID 142838497

IUPAC1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccccn2)N(CCN(C)C)C1c1ccccn1
InChIInChI=1S/C21H28N4O/c1-15-19(17-9-5-7-11-22-17)25(14-13-24(3)4)20(16(2)21(15)26)18-10-6-8-12-23-18/h5-12,15-16,19-20H,13-14H2,1-4H3
InChIKeyRTDYQKKCPFIWQB-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one

1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one (PubChem CID 142838497) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one
PubChem CID142838497
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccccn2)N(CCN(C)C)C1c1ccccn1
InChIInChI=1S/C21H28N4O/c1-15-19(17-9-5-7-11-22-17)25(14-13-24(3)4)20(16(2)21(15)26)18-10-6-8-12-23-18/h5-12,15-16,19-20H,13-14H2,1-4H3
InChIKeyRTDYQKKCPFIWQB-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one (CID 142838497) is 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one is CC1C(=O)C(C)C(c2ccccn2)N(CCN(C)C)C1c1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one?
The InChIKey is RTDYQKKCPFIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-19(17-9-5-7-11-22-17)25(14-13-24(3)4)20(16(2)21(15)26)18-10-6-8-12-23-18/h5-12,15-16,19-20H,13-14H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one?
1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one has a molecular weight of 352.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one is sourced from PubChem (CID 142838497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).