4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid

C18H18N4O2 — CID 56894969

IUPAC4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ccncc2)CC1
InChIInChI=1S/C18H18N4O2/c23-17(24)18(22-13-20-15-3-1-2-4-16(15)22)7-11-21(12-8-18)14-5-9-19-10-6-14/h1-6,9-10,13H,7-8,11-12H2,(H,23,24)
InChIKeyGERRUGFAISDIRF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.51
Rot. Bonds3

About 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid

4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid (PubChem CID 56894969) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
PubChem CID56894969
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ccncc2)CC1
InChIInChI=1S/C18H18N4O2/c23-17(24)18(22-13-20-15-3-1-2-4-16(15)22)7-11-21(12-8-18)14-5-9-19-10-6-14/h1-6,9-10,13H,7-8,11-12H2,(H,23,24)
InChIKeyGERRUGFAISDIRF-UHFFFAOYSA-N
XLogP2.51
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
CID 56907712
4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 70772086
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 70714870
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
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 87478699
4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
CID 121400732
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
bis(benzimidazol-1-yl) carbonate
CID 57193653

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid (CID 56894969) is 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cnc3ccccc32)CCN(c2ccncc2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is GERRUGFAISDIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(24)18(22-13-20-15-3-1-2-4-16(15)22)7-11-21(12-8-18)14-5-9-19-10-6-14/h1-6,9-10,13H,7-8,11-12H2,(H,23,24).
What are the key properties of 4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.51, 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-pyridin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56894969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).