tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate

C16H25N3O4 — CID 104978889

IUPACtert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate
SMILESCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2CN)co1
InChIInChI=1S/C16H25N3O4/c1-11-7-12(10-22-11)14(20)19-6-5-18(9-13(19)8-17)15(21)23-16(2,3)4/h7,10,13H,5-6,8-9,17H2,1-4H3
InChIKeyKHWCGQMTCLZMRQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate

tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate (PubChem CID 104978889) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate
PubChem CID104978889
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate
SMILESCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2CN)co1
InChIInChI=1S/C16H25N3O4/c1-11-7-12(10-22-11)14(20)19-6-5-18(9-13(19)8-17)15(21)23-16(2,3)4/h7,10,13H,5-6,8-9,17H2,1-4H3
InChIKeyKHWCGQMTCLZMRQ-UHFFFAOYSA-N
XLogP1.61
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(aminomethyl)-4-(5-methyloxolane-3-carbonyl)piperazine-1-carboxylate
CID 104979066
tert-butyl 3-(hydroxymethyl)-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 166449824
tert-butyl 3-(aminomethyl)-4-(6-hydroxyhexyl)piperazine-1-carboxylate
CID 107703016
tert-butyl 4-(4-aminobenzoyl)-3-methylpiperazine-1-carboxylate
CID 168509862
tert-butyl 3-(aminomethyl)-4-(4-methoxybutyl)piperazine-1-carboxylate
CID 104647280
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 71631880
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (3S)-4-(2-aminoethyl)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 118975150
tert-butyl 3-(aminomethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine-1-carboxylate
CID 106450956
tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
CID 170288316
tert-butyl (3S)-4-carbonochloridoyl-3-ethylpiperazine-1-carboxylate
CID 87713865

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate (CID 104978889) is tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate is Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2CN)co1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is KHWCGQMTCLZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-7-12(10-22-11)14(20)19-6-5-18(9-13(19)8-17)15(21)23-16(2,3)4/h7,10,13H,5-6,8-9,17H2,1-4H3.
What are the key properties of tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate?
tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 104978889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).