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

C13H19N3O4 — CID 60956540

IUPAC1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCC(CO)CC2)c1=O
InChIInChI=1S/C13H19N3O4/c1-14-11(18)4-7-16(13(14)20)8-12(19)15-5-2-10(9-17)3-6-15/h4,7,10,17H,2-3,5-6,8-9H2,1H3
InChIKeyKPOORLRXIKSYDC-UHFFFAOYSA-N
MW281.31 g/mol
LogP-1.22
Rot. Bonds3

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

1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 60956540) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID60956540
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCC(CO)CC2)c1=O
InChIInChI=1S/C13H19N3O4/c1-14-11(18)4-7-16(13(14)20)8-12(19)15-5-2-10(9-17)3-6-15/h4,7,10,17H,2-3,5-6,8-9H2,1H3
InChIKeyKPOORLRXIKSYDC-UHFFFAOYSA-N
XLogP-1.22
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 45815995
1,3-Diethyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 140083607
6-[4-(Hydroxymethyl)piperidin-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 140083663
1-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43170464
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 43422232
1-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 43427973
1-[2-(3-Hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 43428076
1-[2-[2-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 43430091
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 43430931
6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 54878235
1-[2-[4-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 54878745
1-[2-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 62356602

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 60956540) is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(CC(=O)N2CCC(CO)CC2)c1=O.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is KPOORLRXIKSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-14-11(18)4-7-16(13(14)20)8-12(19)15-5-2-10(9-17)3-6-15/h4,7,10,17H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60956540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).