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

C17H26N4O2 — CID 126944891

IUPAC3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1C(=O)CCCC1CN1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C17H26N4O2/c1-19-15(3-2-4-16(19)22)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,2-4,6-7,9-12H2,1H3
InChIKeyILBNLTXKLYXDEH-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.97
Rot. Bonds4

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

3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944891) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944891
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1C(=O)CCCC1CN1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C17H26N4O2/c1-19-15(3-2-4-16(19)22)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,2-4,6-7,9-12H2,1H3
InChIKeyILBNLTXKLYXDEH-UHFFFAOYSA-N
XLogP0.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944891) is 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is CN1C(=O)CCCC1CN1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ILBNLTXKLYXDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-15(3-2-4-16(19)22)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,2-4,6-7,9-12H2,1H3.
What are the key properties of 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).