1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C16H20N4O3 — CID 122001859

IUPAC1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCn2cnc3ccccc32)C1
InChIInChI=1S/C16H20N4O3/c21-15(22)12-4-3-8-19(10-12)16(23)17-7-9-20-11-18-13-5-1-2-6-14(13)20/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,23)(H,21,22)
InChIKeyRMEDMDAMYHFJEH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122001859) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122001859
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCn2cnc3ccccc32)C1
InChIInChI=1S/C16H20N4O3/c21-15(22)12-4-3-8-19(10-12)16(23)17-7-9-20-11-18-13-5-1-2-6-14(13)20/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,23)(H,21,22)
InChIKeyRMEDMDAMYHFJEH-UHFFFAOYSA-N
XLogP1.54
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015624
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
ethyl 1-[N-[3-(benzimidazol-1-yl)propyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994578
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122001859) is 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCn2cnc3ccccc32)C1.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RMEDMDAMYHFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(22)12-4-3-8-19(10-12)16(23)17-7-9-20-11-18-13-5-1-2-6-14(13)20/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,23)(H,21,22).
What are the key properties of 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122001859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).