5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one

C16H20N4O2 — CID 117211273

IUPAC5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2N2CCC(N)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-4-2-11(3-5-13)15-14(10-18-16(21)19-15)20-8-6-12(17)7-9-20/h2-5,10,12H,6-9,17H2,1H3,(H,18,19,21)
InChIKeyDZVFTTVWERNLKS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds3

About 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one

5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 117211273) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
PubChem CID117211273
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2N2CCC(N)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-4-2-11(3-5-13)15-14(10-18-16(21)19-15)20-8-6-12(17)7-9-20/h2-5,10,12H,6-9,17H2,1H3,(H,18,19,21)
InChIKeyDZVFTTVWERNLKS-UHFFFAOYSA-N
XLogP1.37
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one (CID 117211273) is 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one is COc1ccc(-c2[nH]c(=O)ncc2N2CCC(N)CC2)cc1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is DZVFTTVWERNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-4-2-11(3-5-13)15-14(10-18-16(21)19-15)20-8-6-12(17)7-9-20/h2-5,10,12H,6-9,17H2,1H3,(H,18,19,21).
What are the key properties of 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one?
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 117211273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).