6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H28N4O2 — CID 126944574

IUPAC6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)15-10-16(23)22(12-20-15)11-13-5-8-21(9-6-13)14-4-7-19-17(14)24/h10,12-14H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyUVVVHWURUMPAGD-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.14
Rot. Bonds3

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

6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944574) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944574
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)15-10-16(23)22(12-20-15)11-13-5-8-21(9-6-13)14-4-7-19-17(14)24/h10,12-14H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyUVVVHWURUMPAGD-UHFFFAOYSA-N
XLogP1.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.14
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-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944574) is 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)(C)c1cc(=O)n(CC2CCN(C3CCNC3=O)CC2)cn1.
What is the InChIKey of 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is UVVVHWURUMPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)15-10-16(23)22(12-20-15)11-13-5-8-21(9-6-13)14-4-7-19-17(14)24/h10,12-14H,4-9,11H2,1-3H3,(H,19,24).
What are the key properties of 6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.14, 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-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).