5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C15H24N4O3 — CID 70712443

IUPAC5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1)N(C)C
InChIInChI=1S/C15H24N4O3/c1-10(18(2)3)11-4-6-19(7-5-11)13(20)8-12-9-16-15(22)17-14(12)21/h9-11H,4-8H2,1-3H3,(H2,16,17,21,22)
InChIKeyDBMCXJGNSPUEFL-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.21
Rot. Bonds4

About 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70712443) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70712443
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1)N(C)C
InChIInChI=1S/C15H24N4O3/c1-10(18(2)3)11-4-6-19(7-5-11)13(20)8-12-9-16-15(22)17-14(12)21/h9-11H,4-8H2,1-3H3,(H2,16,17,21,22)
InChIKeyDBMCXJGNSPUEFL-UHFFFAOYSA-N
XLogP-0.21
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70712443) is 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1)N(C)C.
What is the InChIKey of 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DBMCXJGNSPUEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(18(2)3)11-4-6-19(7-5-11)13(20)8-12-9-16-15(22)17-14(12)21/h9-11H,4-8H2,1-3H3,(H2,16,17,21,22).
What are the key properties of 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70712443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).