(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

C21H22N2O3 — CID 95718493

IUPAC(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCOc1ccccc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N2O3/c1-2-26-18-11-6-3-8-15(18)19(24)23-13-7-12-21(14-23)16-9-4-5-10-17(16)22-20(21)25/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyZNTATNJKWZNVCV-OAQYLSRUSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds3

About (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95718493) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95718493
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCOc1ccccc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H22N2O3/c1-2-26-18-11-6-3-8-15(18)19(24)23-13-7-12-21(14-23)16-9-4-5-10-17(16)22-20(21)25/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyZNTATNJKWZNVCV-OAQYLSRUSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 95718493) is (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is CCOc1ccccc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is ZNTATNJKWZNVCV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-26-18-11-6-3-8-15(18)19(24)23-13-7-12-21(14-23)16-9-4-5-10-17(16)22-20(21)25/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,25)/t21-/m1/s1.
What are the key properties of (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95718493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).