tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate

C15H22N4O3 — CID 140876667

IUPACtert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C15H22N4O3/c1-10-7-12(16)17-8-11(10)19-6-5-18(9-13(19)20)14(21)22-15(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyRCRMTJJVPABSPG-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate (PubChem CID 140876667) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
PubChem CID140876667
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C15H22N4O3/c1-10-7-12(16)17-8-11(10)19-6-5-18(9-13(19)20)14(21)22-15(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyRCRMTJJVPABSPG-UHFFFAOYSA-N
XLogP1.56
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-pyridinyl]boronic acid
CID 171482287
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 68629064
tert-butyl 4-[5-(3-hydroxypyrrolidin-1-yl)-2-methylphenyl]-3-oxopiperazine-1-carboxylate
CID 68729639
tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
CID 18009110
tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
CID 11688552
tert-butyl 7-amino-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxylate
CID 171618611
tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
CID 170992060
tert-butyl 2-(6-amino-4-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542790
tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxopiperazine-1-carboxylate
CID 18691017
tert-butyl 4-(4-amino-5-fluoro-2-methylphenyl)piperazine-1-carboxylate
CID 86725408
tert-butyl 4-[1-(2-chloro-3-pyridinyl)-5-methyltriazol-4-yl]-3-oxopiperazine-1-carboxylate
CID 58945845

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate (CID 140876667) is tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate is Cc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is RCRMTJJVPABSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-7-12(16)17-8-11(10)19-6-5-18(9-13(19)20)14(21)22-15(2,3)4/h7-8H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 140876667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).