5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C17H27N3O3 — CID 70730097

IUPAC5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(O)CC(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-11(2)8-15(21)13-4-6-20(7-5-13)16(22)9-14-10-18-12(3)19-17(14)23/h10-11,13,15,21H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyFNCZLGGLPBNMLM-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.27
Rot. Bonds5

About 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 70730097) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID70730097
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(O)CC(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-11(2)8-15(21)13-4-6-20(7-5-13)16(22)9-14-10-18-12(3)19-17(14)23/h10-11,13,15,21H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyFNCZLGGLPBNMLM-UHFFFAOYSA-N
XLogP1.27
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 70730097) is 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC(C(O)CC(C)C)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FNCZLGGLPBNMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11(2)8-15(21)13-4-6-20(7-5-13)16(22)9-14-10-18-12(3)19-17(14)23/h10-11,13,15,21H,4-9H2,1-3H3,(H,18,19,23).
What are the key properties of 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 321.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70730097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).