tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate

C16H24N4O3 — CID 170992060

IUPACtert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1N
InChIInChI=1S/C16H24N4O3/c1-11-10-18-13(9-12(11)17)14(21)19-5-7-20(8-6-19)15(22)23-16(2,3)4/h9-10H,5-8H2,1-4H3,(H2,17,18)
InChIKeyDKINOCQXDJAHHV-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 170992060) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID170992060
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1N
InChIInChI=1S/C16H24N4O3/c1-11-10-18-13(9-12(11)17)14(21)19-5-7-20(8-6-19)15(22)23-16(2,3)4/h9-10H,5-8H2,1-4H3,(H2,17,18)
InChIKeyDKINOCQXDJAHHV-UHFFFAOYSA-N
XLogP1.67
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-chloropyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 86664519
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
tert-butyl 4-(4-amino-2-methylbenzoyl)piperazine-1-carboxylate
CID 104933242
tert-butyl 4-(4-iodopyridine-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 86633425
tert-butyl 4-(5-bromo-2-methylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 168678088
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-(5-bromo-4-methylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 168678188
tert-butyl 4-(3-ethoxycarbonyl-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate
CID 168882269
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
tert-butyl 4-(4-amino-5-fluoro-2-methylphenyl)piperazine-1-carboxylate
CID 86725408
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(4-ethynyl-5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 175400380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate (CID 170992060) is tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate is Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1N.
What is the InChIKey of tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is DKINOCQXDJAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-10-18-13(9-12(11)17)14(21)19-5-7-20(8-6-19)15(22)23-16(2,3)4/h9-10H,5-8H2,1-4H3,(H2,17,18).
What are the key properties of tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 170992060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).