tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

C22H34N4O5 — CID 58484439

IUPACtert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C22H34N4O5/c1-14-19(29-17-5-7-23-8-6-17)24-13-25-20(14)30-18-9-15-11-28-12-16(10-18)26(15)21(27)31-22(2,3)4/h13,15-18,23H,5-12H2,1-4H3
InChIKeyGQBUDSPIDZYWRR-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 58484439) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID58484439
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC Nametert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCc1c(OC2CCNCC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C22H34N4O5/c1-14-19(29-17-5-7-23-8-6-17)24-13-25-20(14)30-18-9-15-11-28-12-16(10-18)26(15)21(27)31-22(2,3)4/h13,15-18,23H,5-12H2,1-4H3
InChIKeyGQBUDSPIDZYWRR-UHFFFAOYSA-N
XLogP2.46
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 46701490
Propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484432
Propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
tert-butyl (1R,5S)-3-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58484441
Propan-2-yl 4-[5-methyl-6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484442
Propan-2-yl 4-[6-(azepan-4-yloxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484446
Ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484453
Tert-butyl 3-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58484455
tert-butyl (1R,5S)-3-[5-methyl-6-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58484472
Tert-butyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484476
Propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484477
4-(5-Methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 70870739

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 58484439) is tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is Cc1c(OC2CCNCC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is GQBUDSPIDZYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5/c1-14-19(29-17-5-7-23-8-6-17)24-13-25-20(14)30-18-9-15-11-28-12-16(10-18)26(15)21(27)31-22(2,3)4/h13,15-18,23H,5-12H2,1-4H3.
What are the key properties of tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 58484439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).