1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

C12H17N3O3 — CID 26643718

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-9-2-5-14(6-3-9)11(17)8-15-7-4-10(16)13-12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16,18)
InChIKeyKDEISRJEEFASNY-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.20
Rot. Bonds2

About 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 26643718) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID26643718
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-9-2-5-14(6-3-9)11(17)8-15-7-4-10(16)13-12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16,18)
InChIKeyKDEISRJEEFASNY-UHFFFAOYSA-N
XLogP-0.20
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 26643718) is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is CC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is KDEISRJEEFASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-2-5-14(6-3-9)11(17)8-15-7-4-10(16)13-12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16,18).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 26643718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).