1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid

C20H17ClN2O4 — CID 163399327

IUPAC1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2
InChIInChI=1S/C20H17ClN2O4/c21-14-4-1-12(2-5-14)17(24)23-9-7-20(8-10-23)15-11-13(18(25)26)3-6-16(15)22-19(20)27/h1-6,11H,7-10H2,(H,22,27)(H,25,26)
InChIKeyNBNDZHLPEOMAMK-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.16
Rot. Bonds2

About 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid

1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (PubChem CID 163399327) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.

Molecular Properties

Compound Name1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
PubChem CID163399327
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2
InChIInChI=1S/C20H17ClN2O4/c21-14-4-1-12(2-5-14)17(24)23-9-7-20(8-10-23)15-11-13(18(25)26)3-6-16(15)22-19(20)27/h1-6,11H,7-10H2,(H,22,27)(H,25,26)
InChIKeyNBNDZHLPEOMAMK-UHFFFAOYSA-N
XLogP3.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The IUPAC name of 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (CID 163399327) is 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.
What is the SMILES notation for 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The canonical SMILES for 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is O=C(O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2.
What is the InChIKey of 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The InChIKey is NBNDZHLPEOMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-14-4-1-12(2-5-14)17(24)23-9-7-20(8-10-23)15-11-13(18(25)26)3-6-16(15)22-19(20)27/h1-6,11H,7-10H2,(H,22,27)(H,25,26).
What are the key properties of 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid has a molecular weight of 384.82 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is sourced from PubChem (CID 163399327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).