tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate

C18H26N6O3 — CID 55990770

IUPACtert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C18H26N6O3/c1-18(2,3)27-17(26)24-10-8-23(9-11-24)7-6-19-16(25)13-4-5-14-15(12-13)21-22-20-14/h4-5,12H,6-11H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyLMKKJBTUCBANSA-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate (PubChem CID 55990770) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate
PubChem CID55990770
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Nametert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C18H26N6O3/c1-18(2,3)27-17(26)24-10-8-23(9-11-24)7-6-19-16(25)13-4-5-14-15(12-13)21-22-20-14/h4-5,12H,6-11H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyLMKKJBTUCBANSA-UHFFFAOYSA-N
XLogP1.24
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]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-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55932124
tert-butyl 4-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]piperazine-1-carboxylate
CID 55990649
tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 55991925
tert-butyl 4-[2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55991289
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55990011
tert-butyl 4-[2-(7-thia-2,3-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,8,10-pentaene-6-carbonylamino)ethyl]piperazine-1-carboxylate
CID 67602918
tert-butyl 4-[2-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 47049389
tert-butyl 4-[3-[[4-(1,3-oxazol-5-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55912296
tert-butyl 4-[3-[(4-chlorobenzoyl)amino]propanoyl]piperazine-1-carboxylate
CID 16617166
tert-butyl 4-[2-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55991918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate (CID 55990770) is tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is LMKKJBTUCBANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-18(2,3)27-17(26)24-10-8-23(9-11-24)7-6-19-16(25)13-4-5-14-15(12-13)21-22-20-14/h4-5,12H,6-11H2,1-3H3,(H,19,25)(H,20,21,22).
What are the key properties of tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 374.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55990770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).