2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone

C17H22N4O — CID 92606069

IUPAC2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C17H22N4O/c1-20(2)12-17(22)21-8-5-13(6-9-21)15-10-16-14(11-19-15)4-3-7-18-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3
InChIKeyMCJCIOGVHOQNRU-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.90
Rot. Bonds3

About 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone (PubChem CID 92606069) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
PubChem CID92606069
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C17H22N4O/c1-20(2)12-17(22)21-8-5-13(6-9-21)15-10-16-14(11-19-15)4-3-7-18-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3
InChIKeyMCJCIOGVHOQNRU-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone (CID 92606069) is 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone is CN(C)CC(=O)N1CCC(c2cc3ncccc3cn2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is MCJCIOGVHOQNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)12-17(22)21-8-5-13(6-9-21)15-10-16-14(11-19-15)4-3-7-18-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92606069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).