4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid

C15H17N3O5 — CID 119251084

IUPAC4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H17N3O5/c19-12(17-7-5-15(23,6-8-17)13(20)21)9-18-11-4-2-1-3-10(11)16-14(18)22/h1-4,23H,5-9H2,(H,16,22)(H,20,21)
InChIKeyNEJHYJMYSAMPBT-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.23
Rot. Bonds3

About 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 119251084) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID119251084
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H17N3O5/c19-12(17-7-5-15(23,6-8-17)13(20)21)9-18-11-4-2-1-3-10(11)16-14(18)22/h1-4,23H,5-9H2,(H,16,22)(H,20,21)
InChIKeyNEJHYJMYSAMPBT-UHFFFAOYSA-N
XLogP-0.23
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 72838610
4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 136521556
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251406
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 120809231
(3R,4S)-3-hydroxy-1-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-4-propylpiperidine-4-carboxylic acid
CID 157015807

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid (CID 119251084) is 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid is O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is NEJHYJMYSAMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-12(17-7-5-15(23,6-8-17)13(20)21)9-18-11-4-2-1-3-10(11)16-14(18)22/h1-4,23H,5-9H2,(H,16,22)(H,20,21).
What are the key properties of 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).