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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Related Compounds

4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
CID 127044148
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72874444
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
4-hydroxy-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 117708726
6-Hydroxy-2,3-bis(3-methylbutyl)pyrimidin-4-one
CID 136364329
2-Cyclohexyl-6-hydroxy-3-pentan-3-ylpyrimidin-4-one
CID 136364427
4-methyl-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483015
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 153615359
4-hydroxy-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one;propanal
CID 153615477
4-hydroxy-2-(6-methylpiperidin-1-id-3-yl)-1H-pyrimidin-6-one;methanol;yttrium
CID 153615514
tert-butyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 153615608

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).