tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate

C17H28N6O3 — CID 55736601

IUPACtert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2nccnc2N)CC1
InChIInChI=1S/C17H28N6O3/c1-17(2,3)26-16(25)23-11-9-22(10-12-23)8-4-5-21-15(24)13-14(18)20-7-6-19-13/h6-7H,4-5,8-12H2,1-3H3,(H2,18,20)(H,21,24)
InChIKeyJWUDKUGUDPNIHO-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.73
Rot. Bonds5

About tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate

tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate (PubChem CID 55736601) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
PubChem CID55736601
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Nametert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2nccnc2N)CC1
InChIInChI=1S/C17H28N6O3/c1-17(2,3)26-16(25)23-11-9-22(10-12-23)8-4-5-21-15(24)13-14(18)20-7-6-19-13/h6-7H,4-5,8-12H2,1-3H3,(H2,18,20)(H,21,24)
InChIKeyJWUDKUGUDPNIHO-UHFFFAOYSA-N
XLogP0.73
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 60518283
tert-butyl 4-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]piperazine-1-carboxylate
CID 47038595
tert-butyl 4-[3-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55736921
tert-butyl 4-[3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate
CID 111192556
tert-butyl 4-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55867182
tert-butyl 4-[3-[[4-(1,3-oxazol-5-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55912296
tert-butyl 4-[3-[(4-oxo-4-phenylbutanoyl)amino]propyl]piperazine-1-carboxylate
CID 55866663
tert-butyl 4-[3-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]propyl]piperazine-1-carboxylate
CID 60518312
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
tert-butyl 4-[3-(1-benzothiophene-3-carbonylamino)propyl]piperazine-1-carboxylate
CID 60518444

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate (CID 55736601) is tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2nccnc2N)CC1.
What is the InChIKey of tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The InChIKey is JWUDKUGUDPNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-17(2,3)26-16(25)23-11-9-22(10-12-23)8-4-5-21-15(24)13-14(18)20-7-6-19-13/h6-7H,4-5,8-12H2,1-3H3,(H2,18,20)(H,21,24).
What are the key properties of tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate is sourced from PubChem (CID 55736601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).