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

C18H28N4O2 — CID 126941391

IUPAC5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCC(=O)NC3)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-7-21(8-6-15)10-16-3-4-17(23)19-9-16/h12,15-16H,3-11H2,1-2H3,(H,19,23)
InChIKeyOSPKINDTUREAQU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.10
Rot. Bonds4

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

5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941391) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941391
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCC(=O)NC3)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-7-21(8-6-15)10-16-3-4-17(23)19-9-16/h12,15-16H,3-11H2,1-2H3,(H,19,23)
InChIKeyOSPKINDTUREAQU-UHFFFAOYSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941391) is 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCC(=O)NC3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OSPKINDTUREAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-7-21(8-6-15)10-16-3-4-17(23)19-9-16/h12,15-16H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).