tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate

C20H30N4O4 — CID 23115989

IUPACtert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-11-7-16(8-12-24)27-18-21-13-15(14-22-18)17(25)23-9-5-4-6-10-23/h13-14,16H,4-12H2,1-3H3
InChIKeyJRYLXPMAGKFQAA-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate (PubChem CID 23115989) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
PubChem CID23115989
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nametert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-11-7-16(8-12-24)27-18-21-13-15(14-22-18)17(25)23-9-5-4-6-10-23/h13-14,16H,4-12H2,1-3H3
InChIKeyJRYLXPMAGKFQAA-UHFFFAOYSA-N
XLogP2.88
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl (3R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]oxypyrrolidine-1-carboxylate
CID 71629514
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate (CID 23115989) is tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(=O)N3CCCCC3)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The InChIKey is JRYLXPMAGKFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-11-7-16(8-12-24)27-18-21-13-15(14-22-18)17(25)23-9-5-4-6-10-23/h13-14,16H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 23115989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).