tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C19H31N5O3 — CID 135219469

IUPACtert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)(C)C)CC2)ncnc1N1CCNCC1
InChIInChI=1S/C19H31N5O3/c1-14-16(23-11-7-20-8-12-23)21-13-22-17(14)26-15-5-9-24(10-6-15)18(25)27-19(2,3)4/h13,15,20H,5-12H2,1-4H3
InChIKeyQHNUJICOMRZTFV-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.97
Rot. Bonds3

About tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 135219469) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID135219469
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Nametert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)(C)C)CC2)ncnc1N1CCNCC1
InChIInChI=1S/C19H31N5O3/c1-14-16(23-11-7-20-8-12-23)21-13-22-17(14)26-15-5-9-24(10-6-15)18(25)27-19(2,3)4/h13,15,20H,5-12H2,1-4H3
InChIKeyQHNUJICOMRZTFV-UHFFFAOYSA-N
XLogP1.97
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
tert-butyl 4-[5-methyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 51038247
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 90152487
tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate
CID 130377878
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[6-[4-(2,2-dihydroxy-1,3,2-dioxathiolan-4-yl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67517114
(1-methylcyclopropyl) 4-[5-methyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 51038471

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 135219469) is tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)(C)C)CC2)ncnc1N1CCNCC1.
What is the InChIKey of tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is QHNUJICOMRZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-14-16(23-11-7-20-8-12-23)21-13-22-17(14)26-15-5-9-24(10-6-15)18(25)27-19(2,3)4/h13,15,20H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 135219469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).