tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate

C18H24N4O3 — CID 141019552

IUPACtert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc2c(NC(=O)N3CCCCC3)cccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-12-19-15-13(8-7-9-14(15)22)20-16(23)21-10-5-4-6-11-21/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)
InChIKeyBENXNQNGDXEMBH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.84
Rot. Bonds1

About tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate

tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate (PubChem CID 141019552) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate
PubChem CID141019552
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc2c(NC(=O)N3CCCCC3)cccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-12-19-15-13(8-7-9-14(15)22)20-16(23)21-10-5-4-6-11-21/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)
InChIKeyBENXNQNGDXEMBH-UHFFFAOYSA-N
XLogP3.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
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CID 19165583
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CID 177238824
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
tert-butyl azacyclopentadecane-1-carboxylate
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tert-butyl pyrrolidine-1-carboxylate;N-phenylacetamide
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N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl 4-(2-cyanopropan-2-ylamino)indole-1-carboxylate
CID 163283186
tert-butyl 3-[(E)-3-oxo-3-[3-(piperidine-1-carbonyl)anilino]prop-1-enyl]indole-1-carboxylate
CID 71547096
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 84597397

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate (CID 141019552) is tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate is CC(C)(C)OC(=O)n1cnc2c(NC(=O)N3CCCCC3)cccc21.
What is the InChIKey of tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate?
The InChIKey is BENXNQNGDXEMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-12-19-15-13(8-7-9-14(15)22)20-16(23)21-10-5-4-6-11-21/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate?
tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidine-1-carbonylamino)benzimidazole-1-carboxylate is sourced from PubChem (CID 141019552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).