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

C19H27N3O4 — CID 156860907

IUPACtert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-10-8-12(9-11-22)15-14(25-5)7-6-13-16(15)21(4)17(23)20-13/h6-7,12H,8-11H2,1-5H3,(H,20,23)
InChIKeyMGJCYCHDHNQLKD-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.99
Rot. Bonds2

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

tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate (PubChem CID 156860907) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
PubChem CID156860907
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-10-8-12(9-11-22)15-14(25-5)7-6-13-16(15)21(4)17(23)20-13/h6-7,12H,8-11H2,1-5H3,(H,20,23)
InChIKeyMGJCYCHDHNQLKD-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate (CID 156860907) is tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate is COc1ccc2[nH]c(=O)n(C)c2c1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
The InChIKey is MGJCYCHDHNQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,3)26-18(24)22-10-8-12(9-11-22)15-14(25-5)7-6-13-16(15)21(4)17(23)20-13/h6-7,12H,8-11H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).