tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate

C20H32N4O3 — CID 159910220

IUPACtert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)23-15-7-9-16(10-8-15)26-18-13-17(21-14-22-18)24-11-5-4-6-12-24/h13-16H,4-12H2,1-3H3,(H,23,25)
InChIKeyNXCAQTOBNWYMQH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate

tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate (PubChem CID 159910220) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate
PubChem CID159910220
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Nametert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)23-15-7-9-16(10-8-15)26-18-13-17(21-14-22-18)24-11-5-4-6-12-24/h13-16H,4-12H2,1-3H3,(H,23,25)
InChIKeyNXCAQTOBNWYMQH-UHFFFAOYSA-N
XLogP3.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
Methyl 3-[6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 132207289
Tert-butyl 2-[[6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
CID 132207760
N-(2,2-difluoroethyl)-4-[(6-ethoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 121532461
2-(Cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 56655175
tert-Butyl 4-((6-aminopyrimidin-4-yl)oxy)piperidine-1-carboxylate
CID 58167449
Propan-2-yl 4-[5-methyl-6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484442
Propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484477
tert-Butyl (1-(6-methoxypyrimidin-4-yl)piperidin-4-yl)carbamate
CID 66569673
tert-Butyl (1-(6-methoxypyrimidin-4-yl)piperidin-4-yl)(methyl)carbamate
CID 66569722
Tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate (CID 159910220) is tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate?
The InChIKey is NXCAQTOBNWYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)23-15-7-9-16(10-8-15)26-18-13-17(21-14-22-18)24-11-5-4-6-12-24/h13-16H,4-12H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate?
tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 159910220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).