1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C17H28N4O2 — CID 70784333

IUPAC1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCCC2CCN(C)C)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-14(2)21(17(23)18-13)12-16(22)20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3
InChIKeyWPPYJXLEOPQEFL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.19
Rot. Bonds5

About 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 70784333) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID70784333
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCCC2CCN(C)C)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-14(2)21(17(23)18-13)12-16(22)20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3
InChIKeyWPPYJXLEOPQEFL-UHFFFAOYSA-N
XLogP1.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 70784333) is 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCCCC2CCN(C)C)c(=O)n1.
What is the InChIKey of 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is WPPYJXLEOPQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-14(2)21(17(23)18-13)12-16(22)20-9-6-5-7-15(20)8-10-19(3)4/h11,15H,5-10,12H2,1-4H3.
What are the key properties of 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 70784333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).