tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate

C29H44N8O5 — CID 68629064

IUPACtert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)C(=O)C1.Cc1cc(N)cnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O2.C14H20N4O3/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)11-5-4-10(15)8-16-11/h9-10H,5-8,16H2,1-4H3;4-5,8H,6-7,9,15H2,1-3H3
InChIKeyDXUFHTGAQLCWHV-UHFFFAOYSA-N
MW584.72 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate (PubChem CID 68629064) has the molecular formula C29H44N8O5 and a molecular weight of 584.72 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate
PubChem CID68629064
Molecular FormulaC29H44N8O5
Molecular Weight584.72 g/mol
Exact Mass584.34
IUPAC Nametert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)C(=O)C1.Cc1cc(N)cnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O2.C14H20N4O3/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)11-5-4-10(15)8-16-11/h9-10H,5-8,16H2,1-4H3;4-5,8H,6-7,9,15H2,1-3H3
InChIKeyDXUFHTGAQLCWHV-UHFFFAOYSA-N
XLogP3.28
TPSA160.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.72
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 140876667
4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 123699393
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-[3-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-6-yl]-3-oxopiperazine-1-carboxylate
CID 166485355
tert-butyl 4-(4-amino-2-methylbenzoyl)piperazine-1-carboxylate
CID 104933242
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-(5-aminopyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 114518320
tert-butyl 4-(7-methylfuro[3,2-c]pyridin-4-yl)piperazine-1-carboxylate
CID 67125779
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of 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) is tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)C(=O)C1.Cc1cc(N)cnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is DXUFHTGAQLCWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C14H20N4O3/c1-11-9-12(16)10-17-13(11)18-5-7-19(8-6-18)14(20)21-15(2,3)4;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)11-5-4-10(15)8-16-11/h9-10H,5-8,16H2,1-4H3;4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 584.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-3-methyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 68629064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).