2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one

C12H17N3O3 — CID 167376559

IUPAC2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)N1CC(c2nc(O)cc(=O)[nH]2)CC[C@@H]1C
InChIInChI=1S/C12H17N3O3/c1-7-3-4-9(6-15(7)8(2)16)12-13-10(17)5-11(18)14-12/h5,7,9H,3-4,6H2,1-2H3,(H2,13,14,17,18)/t7-,9?/m0/s1
InChIKeyFPNWCTXURCDDCQ-JAVCKPHESA-N
MW251.29 g/mol
LogP0.59
Rot. Bonds1

About 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one

2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 167376559) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID167376559
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)N1CC(c2nc(O)cc(=O)[nH]2)CC[C@@H]1C
InChIInChI=1S/C12H17N3O3/c1-7-3-4-9(6-15(7)8(2)16)12-13-10(17)5-11(18)14-12/h5,7,9H,3-4,6H2,1-2H3,(H2,13,14,17,18)/t7-,9?/m0/s1
InChIKeyFPNWCTXURCDDCQ-JAVCKPHESA-N
XLogP0.59
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one (CID 167376559) is 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one is CC(=O)N1CC(c2nc(O)cc(=O)[nH]2)CC[C@@H]1C.
What is the InChIKey of 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FPNWCTXURCDDCQ-JAVCKPHESA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-3-4-9(6-15(7)8(2)16)12-13-10(17)5-11(18)14-12/h5,7,9H,3-4,6H2,1-2H3,(H2,13,14,17,18)/t7-,9?/m0/s1.
What are the key properties of 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 167376559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).