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

C17H26N4O2 — CID 126941387

IUPAC5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCCNC3=O)CC2)c(=O)c1C
InChIInChI=1S/C17H26N4O2/c1-12-13(2)19-11-21(17(12)23)10-14-5-8-20(9-6-14)15-4-3-7-18-16(15)22/h11,14-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyACGFSTHKJAYQBS-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.85
Rot. Bonds3

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

5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941387) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941387
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCCNC3=O)CC2)c(=O)c1C
InChIInChI=1S/C17H26N4O2/c1-12-13(2)19-11-21(17(12)23)10-14-5-8-20(9-6-14)15-4-3-7-18-16(15)22/h11,14-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyACGFSTHKJAYQBS-UHFFFAOYSA-N
XLogP0.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.85
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-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941387) is 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(C3CCCNC3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ACGFSTHKJAYQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-13(2)19-11-21(17(12)23)10-14-5-8-20(9-6-14)15-4-3-7-18-16(15)22/h11,14-15H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.85, 3 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-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).