tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate

C19H26N4O3 — CID 42959413

IUPACtert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
SMILESCC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cnc2ccccc21
InChIInChI=1S/C19H26N4O3/c1-14(23-13-20-15-7-5-6-8-16(15)23)17(24)21-9-11-22(12-10-21)18(25)26-19(2,3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyBAVNXVCUJLPICD-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate

tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 42959413) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
PubChem CID42959413
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
SMILESCC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cnc2ccccc21
InChIInChI=1S/C19H26N4O3/c1-14(23-13-20-15-7-5-6-8-16(15)23)17(24)21-9-11-22(12-10-21)18(25)26-19(2,3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyBAVNXVCUJLPICD-UHFFFAOYSA-N
XLogP2.68
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]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

(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
methyl 2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46431500
2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46605644
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990723
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129427686
tert-butyl 3-[[4-(benzimidazol-1-ylmethyl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 69250469
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate (CID 42959413) is tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate is CC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cnc2ccccc21.
What is the InChIKey of tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is BAVNXVCUJLPICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(23-13-20-15-7-5-6-8-16(15)23)17(24)21-9-11-22(12-10-21)18(25)26-19(2,3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 42959413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).