4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

C16H18FN3O3 — CID 123226365

IUPAC4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(F)cc(C4CC4)cc32)CC1
InChIInChI=1S/C16H18FN3O3/c17-12-7-10(9-1-2-9)8-13-14(12)18-15(21)20(13)11-3-5-19(6-4-11)16(22)23/h7-9,11H,1-6H2,(H,18,21)(H,22,23)
InChIKeyZHSLCBWUYVQEFC-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.66
Rot. Bonds2

About 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 123226365) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
PubChem CID123226365
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(F)cc(C4CC4)cc32)CC1
InChIInChI=1S/C16H18FN3O3/c17-12-7-10(9-1-2-9)8-13-14(12)18-15(21)20(13)11-3-5-19(6-4-11)16(22)23/h7-9,11H,1-6H2,(H,18,21)(H,22,23)
InChIKeyZHSLCBWUYVQEFC-UHFFFAOYSA-N
XLogP2.66
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68625545
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
CID 68903934
5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624326
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 59846683
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 71153777
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69128386

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 123226365) is 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2c(=O)[nH]c3c(F)cc(C4CC4)cc32)CC1.
What is the InChIKey of 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is ZHSLCBWUYVQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-7-10(9-1-2-9)8-13-14(12)18-15(21)20(13)11-3-5-19(6-4-11)16(22)23/h7-9,11H,1-6H2,(H,18,21)(H,22,23).
What are the key properties of 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123226365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).