5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H28N4O2 — CID 126941386

IUPAC5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCCN(C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(17(13)23)11-15-6-9-21(10-7-15)16-5-4-8-20(3)18(16)24/h12,15-16H,4-11H2,1-3H3
InChIKeyDIHVUXZRHSIKLG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.19
Rot. Bonds3

About 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941386) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941386
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCCN(C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(17(13)23)11-15-6-9-21(10-7-15)16-5-4-8-20(3)18(16)24/h12,15-16H,4-11H2,1-3H3
InChIKeyDIHVUXZRHSIKLG-UHFFFAOYSA-N
XLogP1.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941386) is 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(C3CCCN(C)C3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DIHVUXZRHSIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(17(13)23)11-15-6-9-21(10-7-15)16-5-4-8-20(3)18(16)24/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).