tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate

C19H32N6O6 — CID 58734979

IUPACtert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)CNC(=O)CN)CC2)CC1
InChIInChI=1S/C19H32N6O6/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)16(28)23-6-4-22(5-7-23)15(27)13-21-14(26)12-20/h4-13,20H2,1-3H3,(H,21,26)
InChIKeyDYZQYSFSCKYHBY-UHFFFAOYSA-N
MW440.50 g/mol
LogP-2.19
Rot. Bonds3

About tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate

tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate (PubChem CID 58734979) has the molecular formula C19H32N6O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
PubChem CID58734979
Molecular FormulaC19H32N6O6
Molecular Weight440.50 g/mol
Exact Mass440.24
IUPAC Nametert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)CNC(=O)CN)CC2)CC1
InChIInChI=1S/C19H32N6O6/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)16(28)23-6-4-22(5-7-23)15(27)13-21-14(26)12-20/h4-13,20H2,1-3H3,(H,21,26)
InChIKeyDYZQYSFSCKYHBY-UHFFFAOYSA-N
XLogP-2.19
TPSA145.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 3-oxopiperazine-1-carboxylate
CID 3157178
tert-butyl N-(2-oxo-2-(piperazin-1-yl)ethyl)carbamate
CID 17750349
Tert-butyl 4-[2-(piperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 19420472
Tert-butyl 4-(2-(methylamino)acetyl)piperazine-1-carboxylate
CID 45791809
Tert-butyl 4-[4-(piperazin-1-yl)butyl]piperazine-1-carboxylate
CID 155937636
tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
CID 59370250
tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 398092
tert-butyl N-ethyl-N-[(2R)-1-[[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]amino]propan-2-yl]carbamate
CID 119050582
tert-Butyl 2-oxopiperazine-1-carboxylate
CID 21868412
Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 160391409
Tert-butyl 4-(2,2-difluoropropyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 174209702
N-Methyl (4-BOC-piperazino)acetamide
CID 46785872

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate (CID 58734979) is tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)CNC(=O)CN)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The InChIKey is DYZQYSFSCKYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O6/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)16(28)23-6-4-22(5-7-23)15(27)13-21-14(26)12-20/h4-13,20H2,1-3H3,(H,21,26).
What are the key properties of tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate has a molecular weight of 440.50 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[2-[(2-aminoacetyl)amino]acetyl]piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 58734979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).