6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C20H30N4O2 — CID 126941859

IUPAC6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCC1=O
InChIInChI=1S/C20H30N4O2/c1-22-11-16(2-5-19(22)25)12-23-8-6-15(7-9-23)13-24-14-21-18(10-20(24)26)17-3-4-17/h10,14-17H,2-9,11-13H2,1H3
InChIKeyXFYLDEBHTNLYMT-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.70
Rot. Bonds5

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

6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941859) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941859
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCC1=O
InChIInChI=1S/C20H30N4O2/c1-22-11-16(2-5-19(22)25)12-23-8-6-15(7-9-23)13-24-14-21-18(10-20(24)26)17-3-4-17/h10,14-17H,2-9,11-13H2,1H3
InChIKeyXFYLDEBHTNLYMT-UHFFFAOYSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941859) is 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is CN1CC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCC1=O.
What is the InChIKey of 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XFYLDEBHTNLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22-11-16(2-5-19(22)25)12-23-8-6-15(7-9-23)13-24-14-21-18(10-20(24)26)17-3-4-17/h10,14-17H,2-9,11-13H2,1H3.
What are the key properties of 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 358.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).