4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

C13H14FN3O3 — CID 69314248

IUPAC4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C13H14FN3O3/c14-9-2-1-3-10-11(9)15-12(18)17(10)8-4-6-16(7-5-8)13(19)20/h1-3,8H,4-7H2,(H,15,18)(H,19,20)
InChIKeyOWGXUSKIWWXJEA-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.78
Rot. Bonds1

About 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 69314248) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
PubChem CID69314248
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C13H14FN3O3/c14-9-2-1-3-10-11(9)15-12(18)17(10)8-4-6-16(7-5-8)13(19)20/h1-3,8H,4-7H2,(H,15,18)(H,19,20)
InChIKeyOWGXUSKIWWXJEA-UHFFFAOYSA-N
XLogP1.78
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 123226365
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
CID 68903934
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117206134
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 91042796
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 75074771
3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 71153777
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-fluoro-1H-benzimidazol-2-one;hydrochloride
CID 67345221
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
CID 115541492

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 69314248) is 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1.
What is the InChIKey of 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is OWGXUSKIWWXJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-9-2-1-3-10-11(9)15-12(18)17(10)8-4-6-16(7-5-8)13(19)20/h1-3,8H,4-7H2,(H,15,18)(H,19,20).
What are the key properties of 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69314248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).