6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one

C14H16ClNO2 — CID 155164211

IUPAC6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one
SMILESCOc1cc2c(cc1Cl)C(=O)C1(CCNCC1)C2
InChIInChI=1S/C14H16ClNO2/c1-18-12-6-9-8-14(2-4-16-5-3-14)13(17)10(9)7-11(12)15/h6-7,16H,2-5,8H2,1H3
InChIKeyONSYVWASLMHVEX-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.46
Rot. Bonds1

About 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one

6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 155164211) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID155164211
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one
SMILESCOc1cc2c(cc1Cl)C(=O)C1(CCNCC1)C2
InChIInChI=1S/C14H16ClNO2/c1-18-12-6-9-8-14(2-4-16-5-3-14)13(17)10(9)7-11(12)15/h6-7,16H,2-5,8H2,1H3
InChIKeyONSYVWASLMHVEX-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one 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 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one (CID 155164211) is 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one is COc1cc2c(cc1Cl)C(=O)C1(CCNCC1)C2.
What is the InChIKey of 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is ONSYVWASLMHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-18-12-6-9-8-14(2-4-16-5-3-14)13(17)10(9)7-11(12)15/h6-7,16H,2-5,8H2,1H3.
What are the key properties of 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one?
6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 265.74 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 155164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).