ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate

C19H26N4O3 — CID 24969821

IUPACethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C19H26N4O3/c1-2-26-19(25)22-12-9-15(13-22)21-10-7-14(8-11-21)23-17-6-4-3-5-16(17)20-18(23)24/h3-6,14-15H,2,7-13H2,1H3,(H,20,24)
InChIKeyHXYQHTSHRKZZEB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.20
Rot. Bonds3

About ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate

ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate (PubChem CID 24969821) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
PubChem CID24969821
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nameethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C19H26N4O3/c1-2-26-19(25)22-12-9-15(13-22)21-10-7-14(8-11-21)23-17-6-4-3-5-16(17)20-18(23)24/h3-6,14-15H,2,7-13H2,1H3,(H,20,24)
InChIKeyHXYQHTSHRKZZEB-UHFFFAOYSA-N
XLogP2.20
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
CID 143592072
ethyl 3-[4-(6-isocyano-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 59403075
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547652

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate (CID 24969821) is ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is HXYQHTSHRKZZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-26-19(25)22-12-9-15(13-22)21-10-7-14(8-11-21)23-17-6-4-3-5-16(17)20-18(23)24/h3-6,14-15H,2,7-13H2,1H3,(H,20,24).
What are the key properties of ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24969821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).