2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

C15H19N3O3 — CID 174610889

IUPAC2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESCCC1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-2-10-9-11(7-8-17(10)15(20)21)18-13-6-4-3-5-12(13)16-14(18)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyAARUVPODMONRCP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.42
Rot. Bonds2

About 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 174610889) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
PubChem CID174610889
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESCCC1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-2-10-9-11(7-8-17(10)15(20)21)18-13-6-4-3-5-12(13)16-14(18)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyAARUVPODMONRCP-UHFFFAOYSA-N
XLogP2.42
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dibenzylamino)butyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67182111
2-[2-[benzyl-[(3-methoxyphenyl)methyl]amino]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67178879
2-[2-[benzyl-[(2-phenylmethoxyphenyl)methyl]amino]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67180745
2-[2-[benzyl(quinolin-4-ylmethyl)amino]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67178873
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
(2S,4S)-2-[3-[benzyl(quinolin-4-ylmethyl)amino]propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 90782452
(2S)-2-[3-[benzyl(quinolin-4-ylmethyl)amino]propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67180339
2-[1-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67180728
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 174610889) is 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is CCC1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is AARUVPODMONRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-10-9-11(7-8-17(10)15(20)21)18-13-6-4-3-5-12(13)16-14(18)19/h3-6,10-11H,2,7-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 174610889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).