1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione

C12H17N3O4 — CID 43428076

IUPAC1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(O)C2)c1=O
InChIInChI=1S/C12H17N3O4/c1-13-10(17)4-6-15(12(13)19)8-11(18)14-5-2-3-9(16)7-14/h4,6,9,16H,2-3,5,7-8H2,1H3
InChIKeyRWZQZIFABTXWOL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.47
Rot. Bonds2

About 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione

1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 43428076) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID43428076
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(O)C2)c1=O
InChIInChI=1S/C12H17N3O4/c1-13-10(17)4-6-15(12(13)19)8-11(18)14-5-2-3-9(16)7-14/h4,6,9,16H,2-3,5,7-8H2,1H3
InChIKeyRWZQZIFABTXWOL-UHFFFAOYSA-N
XLogP-1.47
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 43428076) is 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(CC(=O)N2CCCC(O)C2)c1=O.
What is the InChIKey of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is RWZQZIFABTXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-13-10(17)4-6-15(12(13)19)8-11(18)14-5-2-3-9(16)7-14/h4,6,9,16H,2-3,5,7-8H2,1H3.
What are the key properties of 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 43428076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).