4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid

C18H17N3O4 — CID 56901275

IUPAC4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1
InChIInChI=1S/C18H17N3O4/c22-16(13-5-10-25-11-13)20-8-6-18(7-9-20,17(23)24)21-12-19-14-3-1-2-4-15(14)21/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyMFDRADPIFAAWPJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.35
Rot. Bonds3

About 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid

4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56901275) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID56901275
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1
InChIInChI=1S/C18H17N3O4/c22-16(13-5-10-25-11-13)20-8-6-18(7-9-20,17(23)24)21-12-19-14-3-1-2-4-15(14)21/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyMFDRADPIFAAWPJ-UHFFFAOYSA-N
XLogP2.35
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56918210
4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
CID 56907712
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 70714870
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 32529717
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97370696
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (CID 56901275) is 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccoc1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is MFDRADPIFAAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16(13-5-10-25-11-13)20-8-6-18(7-9-20,17(23)24)21-12-19-14-3-1-2-4-15(14)21/h1-5,10-12H,6-9H2,(H,23,24).
What are the key properties of 4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.35, 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-(furan-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56901275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).