methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate

C21H22N4O2 — CID 167975128

IUPACmethyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
SMILESCCc1cc(N2CCC(C(=O)OC)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H22N4O2/c1-3-14-12-19(24-10-8-15(9-11-24)21(26)27-2)25-18-7-5-4-6-17(18)23-20(25)16(14)13-22/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyCUFFTSVYAVSRFZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.31
Rot. Bonds3

About methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate

methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate (PubChem CID 167975128) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
PubChem CID167975128
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Namemethyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
SMILESCCc1cc(N2CCC(C(=O)OC)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H22N4O2/c1-3-14-12-19(24-10-8-15(9-11-24)21(26)27-2)25-18-7-5-4-6-17(18)23-20(25)16(14)13-22/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyCUFFTSVYAVSRFZ-UHFFFAOYSA-N
XLogP3.31
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate (CID 167975128) is methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate is CCc1cc(N2CCC(C(=O)OC)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate?
The InChIKey is CUFFTSVYAVSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-14-12-19(24-10-8-15(9-11-24)21(26)27-2)25-18-7-5-4-6-17(18)23-20(25)16(14)13-22/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate?
methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate is sourced from PubChem (CID 167975128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).