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

C18H17FN4O2 — CID 56907712

IUPAC4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-4-3-9-20-16(13)22-10-7-18(8-11-22,17(24)25)23-12-21-14-5-1-2-6-15(14)23/h1-6,9,12H,7-8,10-11H2,(H,24,25)
InChIKeyBRQBDVXUGXHXIC-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.65
Rot. Bonds3

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

4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 56907712) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID56907712
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-4-3-9-20-16(13)22-10-7-18(8-11-22,17(24)25)23-12-21-14-5-1-2-6-15(14)23/h1-6,9,12H,7-8,10-11H2,(H,24,25)
InChIKeyBRQBDVXUGXHXIC-UHFFFAOYSA-N
XLogP2.65
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56894969
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 70714870
4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 70772086
4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56901275
4-(benzimidazol-1-yl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56918210
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile
CID 86641933
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-(3-fluoro-2-pyridinyl)-1,4-azaphosphinan-4-ium 4-oxide
CID 175693881
bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 172686931
(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
CID 95551911

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (CID 56907712) is 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1(n2cnc3ccccc32)CCN(c2ncccc2F)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is BRQBDVXUGXHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-4-3-9-20-16(13)22-10-7-18(8-11-22,17(24)25)23-12-21-14-5-1-2-6-15(14)23/h1-6,9,12H,7-8,10-11H2,(H,24,25).
What are the key properties of 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56907712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).