tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate

C17H29N3O3 — CID 104933457

IUPACtert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate
SMILESCc1ccc(C(C(C)N)N2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C17H29N3O3/c1-12-6-7-14(22-12)15(13(2)18)19-8-10-20(11-9-19)16(21)23-17(3,4)5/h6-7,13,15H,8-11,18H2,1-5H3
InChIKeyMGPGWBHMYYJOCM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate

tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate (PubChem CID 104933457) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate
PubChem CID104933457
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate
SMILESCc1ccc(C(C(C)N)N2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C17H29N3O3/c1-12-6-7-14(22-12)15(13(2)18)19-8-10-20(11-9-19)16(21)23-17(3,4)5/h6-7,13,15H,8-11,18H2,1-5H3
InChIKeyMGPGWBHMYYJOCM-UHFFFAOYSA-N
XLogP2.53
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]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 4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxylate
CID 104933454
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
tert-butyl 4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-1-carboxylate
CID 104933492
tert-butyl 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538101
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
CID 113248586
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
tert-butyl 4-[1-(3-chloro-2-pyridinyl)ethyl]piperazine-1-carboxylate
CID 77441244

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate (CID 104933457) is tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate is Cc1ccc(C(C(C)N)N2CCN(C(=O)OC(C)(C)C)CC2)o1.
What is the InChIKey of tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate?
The InChIKey is MGPGWBHMYYJOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12-6-7-14(22-12)15(13(2)18)19-8-10-20(11-9-19)16(21)23-17(3,4)5/h6-7,13,15H,8-11,18H2,1-5H3.
What are the key properties of tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate?
tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 104933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).