1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

C18H22ClN3O2S — CID 97448934

IUPAC1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CSCN1)c1ccc(Cl)cc12
InChIInChI=1S/C18H22ClN3O2S/c1-12(23)21-6-4-18(5-7-21)10-22(17(24)15-9-25-11-20-15)16-3-2-13(19)8-14(16)18/h2-3,8,15,20H,4-7,9-11H2,1H3/t15-/m0/s1
InChIKeyUBTPEEWHKXVUST-HNNXBMFYSA-N
MW379.91 g/mol
LogP2.23
Rot. Bonds1

About 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 97448934) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
PubChem CID97448934
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CSCN1)c1ccc(Cl)cc12
InChIInChI=1S/C18H22ClN3O2S/c1-12(23)21-6-4-18(5-7-21)10-22(17(24)15-9-25-11-20-15)16-3-2-13(19)8-14(16)18/h2-3,8,15,20H,4-7,9-11H2,1H3/t15-/m0/s1
InChIKeyUBTPEEWHKXVUST-HNNXBMFYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone 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-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (CID 97448934) is 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CSCN1)c1ccc(Cl)cc12.
What is the InChIKey of 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is UBTPEEWHKXVUST-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-12(23)21-6-4-18(5-7-21)10-22(17(24)15-9-25-11-20-15)16-3-2-13(19)8-14(16)18/h2-3,8,15,20H,4-7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 379.91 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 97448934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).