6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C20H30N4O3 — CID 126944283

IUPAC6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)16-10-18(26)24(13-22-16)12-14-6-8-23(9-7-14)19(27)15-4-5-17(25)21-11-15/h10,13-15H,4-9,11-12H2,1-3H3,(H,21,25)
InChIKeyCMCLRFRRYQNUSF-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.31
Rot. Bonds3

About 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944283) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944283
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)16-10-18(26)24(13-22-16)12-14-6-8-23(9-7-14)19(27)15-4-5-17(25)21-11-15/h10,13-15H,4-9,11-12H2,1-3H3,(H,21,25)
InChIKeyCMCLRFRRYQNUSF-UHFFFAOYSA-N
XLogP1.31
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944283) is 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1.
What is the InChIKey of 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is CMCLRFRRYQNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,3)16-10-18(26)24(13-22-16)12-14-6-8-23(9-7-14)19(27)15-4-5-17(25)21-11-15/h10,13-15H,4-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 374.49 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).