6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C13H19N3O4 — CID 62357945

IUPAC6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-5-3-9-2-1-4-16(8-9)12(19)7-10-6-11(18)15-13(20)14-10/h6,9,17H,1-5,7-8H2,(H2,14,15,18,20)
InChIKeyPODPPFKWHJDISF-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.77
Rot. Bonds4

About 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 62357945) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID62357945
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-5-3-9-2-1-4-16(8-9)12(19)7-10-6-11(18)15-13(20)14-10/h6,9,17H,1-5,7-8H2,(H2,14,15,18,20)
InChIKeyPODPPFKWHJDISF-UHFFFAOYSA-N
XLogP-0.77
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
CID 43170488
6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43415782
6-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43572858
6-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43589538
6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 54878844
6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 60954763
6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 62371107
3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 62372154
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
CID 62690762
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64928119
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833150
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65894252

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 62357945) is 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CCO)C1.
What is the InChIKey of 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PODPPFKWHJDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-5-3-9-2-1-4-16(8-9)12(19)7-10-6-11(18)15-13(20)14-10/h6,9,17H,1-5,7-8H2,(H2,14,15,18,20).
What are the key properties of 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).