tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate

C23H27N5O3 — CID 56532103

IUPACtert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1
InChIInChI=1S/C23H27N5O3/c1-23(2,3)31-22(30)27-12-10-16(11-13-27)21(29)26-17-8-9-20(24-14-17)28-15-25-18-6-4-5-7-19(18)28/h4-9,14-16H,10-13H2,1-3H3,(H,26,29)
InChIKeyRAODYHUTTCLOJI-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.01
Rot. Bonds3

About tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 56532103) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
PubChem CID56532103
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nametert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1
InChIInChI=1S/C23H27N5O3/c1-23(2,3)31-22(30)27-12-10-16(11-13-27)21(29)26-17-8-9-20(24-14-17)28-15-25-18-6-4-5-7-19(18)28/h4-9,14-16H,10-13H2,1-3H3,(H,26,29)
InChIKeyRAODYHUTTCLOJI-UHFFFAOYSA-N
XLogP4.01
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 55938947
tert-butyl (2R)-1-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylate
CID 96528754
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55761391
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119850811
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
CID 119850830
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate (CID 56532103) is tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is RAODYHUTTCLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-23(2,3)31-22(30)27-12-10-16(11-13-27)21(29)26-17-8-9-20(24-14-17)28-15-25-18-6-4-5-7-19(18)28/h4-9,14-16H,10-13H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 56532103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).