ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C16H21N3O4 — CID 69176194

IUPACethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3c(OC)cccc32)CC1
InChIInChI=1S/C16H21N3O4/c1-3-23-16(21)18-9-7-11(8-10-18)19-12-5-4-6-13(22-2)14(12)17-15(19)20/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyYMCHSTLYMVSQLX-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.13
Rot. Bonds3

About ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 69176194) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID69176194
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nameethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3c(OC)cccc32)CC1
InChIInChI=1S/C16H21N3O4/c1-3-23-16(21)18-9-7-11(8-10-18)19-12-5-4-6-13(22-2)14(12)17-15(19)20/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyYMCHSTLYMVSQLX-UHFFFAOYSA-N
XLogP2.13
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
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
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
ethyl 4-(9-methoxy-3-oxo-5H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate
CID 71793846

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (CID 69176194) is ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(=O)[nH]c3c(OC)cccc32)CC1.
What is the InChIKey of ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is YMCHSTLYMVSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-3-23-16(21)18-9-7-11(8-10-18)19-12-5-4-6-13(22-2)14(12)17-15(19)20/h4-6,11H,3,7-10H2,1-2H3,(H,17,20).
What are the key properties of ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69176194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).