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

C11H15N3O4 — CID 43415782

IUPAC6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(O)C1
InChIInChI=1S/C11H15N3O4/c15-8-2-1-3-14(6-8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyGRMSMHHPBRUOLU-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.41
Rot. Bonds2

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

6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 43415782) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID43415782
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(O)C1
InChIInChI=1S/C11H15N3O4/c15-8-2-1-3-14(6-8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyGRMSMHHPBRUOLU-UHFFFAOYSA-N
XLogP-1.41
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149952
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
6-[(3-hydroxypiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 176164027
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 2149965
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 2149966
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43394171
6-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43416003
6-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43572858
6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 54878844
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 55172938
6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 60954763

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 43415782) is 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC(O)C1.
What is the InChIKey of 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GRMSMHHPBRUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8-2-1-3-14(6-8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18).
What are the key properties of 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43415782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).