tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate

C19H27N3O4 — CID 175931242

IUPACtert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-11-7-6-8-13(22)15-14(25-5)10-9-12-16(15)21(4)17(23)20-12/h9-10,13H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyOQTWBEHCPRLENB-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate

tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate (PubChem CID 175931242) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
PubChem CID175931242
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-11-7-6-8-13(22)15-14(25-5)10-9-12-16(15)21(4)17(23)20-12/h9-10,13H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyOQTWBEHCPRLENB-UHFFFAOYSA-N
XLogP3.34
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate (CID 175931242) is tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate is COc1ccc2[nH]c(=O)n(C)c2c1C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The InChIKey is OQTWBEHCPRLENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-11-7-6-8-13(22)15-14(25-5)10-9-12-16(15)21(4)17(23)20-12/h9-10,13H,6-8,11H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175931242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).