2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid

C21H20N2O4 — CID 3701020

IUPAC2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C21H20N2O4/c24-19-13-14-5-1-4-8-18(14)23(19)15-9-11-22(12-10-15)20(25)16-6-2-3-7-17(16)21(26)27/h1-8,15H,9-13H2,(H,26,27)
InChIKeyGARBKRIJTSWMIF-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.58
Rot. Bonds3

About 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid

2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid (PubChem CID 3701020) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
PubChem CID3701020
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C21H20N2O4/c24-19-13-14-5-1-4-8-18(14)23(19)15-9-11-22(12-10-15)20(25)16-6-2-3-7-17(16)21(26)27/h1-8,15H,9-13H2,(H,26,27)
InChIKeyGARBKRIJTSWMIF-UHFFFAOYSA-N
XLogP2.58
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]but-2-enoic acid
CID 4088270
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
CID 174598420
2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657
1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083056
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10621180
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
CID 22558083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid (CID 3701020) is 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is GARBKRIJTSWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19-13-14-5-1-4-8-18(14)23(19)15-9-11-22(12-10-15)20(25)16-6-2-3-7-17(16)21(26)27/h1-8,15H,9-13H2,(H,26,27).
What are the key properties of 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid?
2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 3701020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).