6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

C16H27N5O2 — CID 134451321

IUPAC6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(N3CCC(N)CC3)cc2=O)CC1
InChIInChI=1S/C16H27N5O2/c1-19-8-4-16(23,5-9-19)11-21-12-18-14(10-15(21)22)20-6-2-13(17)3-7-20/h10,12-13,23H,2-9,11,17H2,1H3
InChIKeyGSXBXZQGBMNHAN-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.37
Rot. Bonds3

About 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 134451321) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID134451321
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(N3CCC(N)CC3)cc2=O)CC1
InChIInChI=1S/C16H27N5O2/c1-19-8-4-16(23,5-9-19)11-21-12-18-14(10-15(21)22)20-6-2-13(17)3-7-20/h10,12-13,23H,2-9,11,17H2,1H3
InChIKeyGSXBXZQGBMNHAN-UHFFFAOYSA-N
XLogP-0.37
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 134451321) is 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is CN1CCC(O)(Cn2cnc(N3CCC(N)CC3)cc2=O)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is GSXBXZQGBMNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-19-8-4-16(23,5-9-19)11-21-12-18-14(10-15(21)22)20-6-2-13(17)3-7-20/h10,12-13,23H,2-9,11,17H2,1H3.
What are the key properties of 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 321.43 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 134451321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).