4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid

C17H17N3O3 — CID 68903934

IUPAC4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c4ccccc4ccc32)CC1
InChIInChI=1S/C17H17N3O3/c21-16-18-15-13-4-2-1-3-11(13)5-6-14(15)20(16)12-7-9-19(10-8-12)17(22)23/h1-6,12H,7-10H2,(H,18,21)(H,22,23)
InChIKeyCHOXNHHEKSSHNJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.80
Rot. Bonds1

About 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid

4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 68903934) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
PubChem CID68903934
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c4ccccc4ccc32)CC1
InChIInChI=1S/C17H17N3O3/c21-16-18-15-13-4-2-1-3-11(13)5-6-14(15)20(16)12-7-9-19(10-8-12)17(22)23/h1-6,12H,7-10H2,(H,18,21)(H,22,23)
InChIKeyCHOXNHHEKSSHNJ-UHFFFAOYSA-N
XLogP2.80
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798361
4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 123226365
[3-(7-chloro-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylate
CID 68611163
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid (CID 68903934) is 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2c(=O)[nH]c3c4ccccc4ccc32)CC1.
What is the InChIKey of 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is CHOXNHHEKSSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16-18-15-13-4-2-1-3-11(13)5-6-14(15)20(16)12-7-9-19(10-8-12)17(22)23/h1-6,12H,7-10H2,(H,18,21)(H,22,23).
What are the key properties of 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid?
4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68903934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).