3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C19H30N4O2 — CID 126942337

IUPAC3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(CC3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-14(2)17-9-19(25)23(13-21-17)12-15-5-7-22(8-6-15)11-16-3-4-18(24)20-10-16/h9,13-16H,3-8,10-12H2,1-2H3,(H,20,24)
InChIKeyXMGKVTGZWXLTIW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.60
Rot. Bonds5

About 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942337) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942337
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(CC3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-14(2)17-9-19(25)23(13-21-17)12-15-5-7-22(8-6-15)11-16-3-4-18(24)20-10-16/h9,13-16H,3-8,10-12H2,1-2H3,(H,20,24)
InChIKeyXMGKVTGZWXLTIW-UHFFFAOYSA-N
XLogP1.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942337) is 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(CC3CCC(=O)NC3)CC2)cn1.
What is the InChIKey of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is XMGKVTGZWXLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)17-9-19(25)23(13-21-17)12-15-5-7-22(8-6-15)11-16-3-4-18(24)20-10-16/h9,13-16H,3-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).