2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid

C18H23N3O4 — CID 119177808

IUPAC2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
SMILESCCn1c(=O)n(CC(=O)N2CCC(CC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O4/c1-2-20-14-5-3-4-6-15(14)21(18(20)25)12-16(22)19-9-7-13(8-10-19)11-17(23)24/h3-6,13H,2,7-12H2,1H3,(H,23,24)
InChIKeyRZBURTYIIXJYAF-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.54
Rot. Bonds5

About 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid (PubChem CID 119177808) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
PubChem CID119177808
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
SMILESCCn1c(=O)n(CC(=O)N2CCC(CC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O4/c1-2-20-14-5-3-4-6-15(14)21(18(20)25)12-16(22)19-9-7-13(8-10-19)11-17(23)24/h3-6,13H,2,7-12H2,1H3,(H,23,24)
InChIKeyRZBURTYIIXJYAF-UHFFFAOYSA-N
XLogP1.54
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid (CID 119177808) is 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid is CCn1c(=O)n(CC(=O)N2CCC(CC(=O)O)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is RZBURTYIIXJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-20-14-5-3-4-6-15(14)21(18(20)25)12-16(22)19-9-7-13(8-10-19)11-17(23)24/h3-6,13H,2,7-12H2,1H3,(H,23,24).
What are the key properties of 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 345.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).