5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C15H23N3O4 — CID 97142827

IUPAC5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCOCC[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]c2=O)C1
InChIInChI=1S/C15H23N3O4/c1-22-6-4-15(10-19)3-2-5-18(9-15)13(20)7-12-8-16-11-17-14(12)21/h8,11,19H,2-7,9-10H2,1H3,(H,16,17,21)/t15-/m1/s1
InChIKeyZXERFVYMXZOQQZ-OAHLLOKOSA-N
MW309.37 g/mol
LogP-0.05
Rot. Bonds6

About 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 97142827) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID97142827
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCOCC[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]c2=O)C1
InChIInChI=1S/C15H23N3O4/c1-22-6-4-15(10-19)3-2-5-18(9-15)13(20)7-12-8-16-11-17-14(12)21/h8,11,19H,2-7,9-10H2,1H3,(H,16,17,21)/t15-/m1/s1
InChIKeyZXERFVYMXZOQQZ-OAHLLOKOSA-N
XLogP-0.05
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 97142827) is 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is COCC[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]c2=O)C1.
What is the InChIKey of 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is ZXERFVYMXZOQQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-22-6-4-15(10-19)3-2-5-18(9-15)13(20)7-12-8-16-11-17-14(12)21/h8,11,19H,2-7,9-10H2,1H3,(H,16,17,21)/t15-/m1/s1.
What are the key properties of 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 309.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97142827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).