tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate

C20H27N3O5 — CID 170668414

IUPACtert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Oc2ncc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C20H27N3O5/c1-20(2,3)28-18(26)12-4-6-14(7-5-12)27-19-21-10-13(11-22-19)15-8-9-16(24)23-17(15)25/h10-12,14-15H,4-9H2,1-3H3,(H,23,24,25)
InChIKeyGUPZDOPFODDOGG-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.28
Rot. Bonds4

About tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate

tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate (PubChem CID 170668414) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate
PubChem CID170668414
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nametert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Oc2ncc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C20H27N3O5/c1-20(2,3)28-18(26)12-4-6-14(7-5-12)27-19-21-10-13(11-22-19)15-8-9-16(24)23-17(15)25/h10-12,14-15H,4-9H2,1-3H3,(H,23,24,25)
InChIKeyGUPZDOPFODDOGG-UHFFFAOYSA-N
XLogP2.28
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate (CID 170668414) is tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(Oc2ncc(C3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate?
The InChIKey is GUPZDOPFODDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-20(2,3)28-18(26)12-4-6-14(7-5-12)27-19-21-10-13(11-22-19)15-8-9-16(24)23-17(15)25/h10-12,14-15H,4-9H2,1-3H3,(H,23,24,25).
What are the key properties of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate?
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 170668414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).