tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C17H23N3O3 — CID 59918926

IUPACtert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-6-7-12(11-19)20-14-9-5-4-8-13(14)18-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyGQVLYXKGJKVNDU-GFCCVEGCSA-N
MW317.39 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 59918926) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID59918926
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-6-7-12(11-19)20-14-9-5-4-8-13(14)18-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyGQVLYXKGJKVNDU-GFCCVEGCSA-N
XLogP2.90
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetyl chloride;tert-butyl (3R)-3-(2-aminoanilino)piperidine-1-carboxylate;tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 160656647
tert-butyl 3-(6-bromo-5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
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tert-butyl (3R)-3-(5-bromo-2-oxo-3H-benzimidazol-1-yl)pyrrolidine-1-carboxylate
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1-O-tert-butyl 3-O-methyl (3R,4R)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1,3-dicarboxylate
CID 11999570
[(2S)-2-(dibenzylamino)propyl] 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 25192945
tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
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tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098665
tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 59292588
tert-butyl (3R)-3-[2-(4-fluoroanilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (CID 59918926) is tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is GQVLYXKGJKVNDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-6-7-12(11-19)20-14-9-5-4-8-13(14)18-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59918926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).