(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone

C16H20ClN3OS — CID 97448933

IUPAC(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C16H20ClN3OS/c17-11-1-2-14-12(7-11)16(3-5-18-6-4-16)9-20(14)15(21)13-8-22-10-19-13/h1-2,7,13,18-19H,3-6,8-10H2/t13-/m0/s1
InChIKeyUQPXWBDXIVDGDC-ZDUSSCGKSA-N
MW337.88 g/mol
LogP1.97
Rot. Bonds1

About (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone

(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone (PubChem CID 97448933) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone
PubChem CID97448933
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C16H20ClN3OS/c17-11-1-2-14-12(7-11)16(3-5-18-6-4-16)9-20(14)15(21)13-8-22-10-19-13/h1-2,7,13,18-19H,3-6,8-10H2/t13-/m0/s1
InChIKeyUQPXWBDXIVDGDC-ZDUSSCGKSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S,4S)-4-(5-chloro-1-indolinyl)-2-pyrrolidinylcarbonyl]-1,3-thiazolidine
CID 44422444
2-(5-chloro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70693715
1-(6-chloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71472009
2-(3'-(4-chlorophenyl)-2,4'-dioxospiro[indoline-3,2'-thiazolidin]-1-yl)-N-phenethylacetamide
CID 16023301
1-(5-Chlorospiro[indoline-3,4'-piperidin]-1-yl)ethanone
CID 57319997
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 97448926
(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one
CID 97448932
1-[5-chloro-1-[(4R)-1,3-thiazolidine-4-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
CID 97448934
(2R)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)propan-1-one
CID 97527999
(2S)-2-amino-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-4-methylpentan-1-one;dihydrochloride
CID 127023621
1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71472008
1-(6-chlorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71472245

Frequently Asked Questions

What is the IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone (CID 97448933) is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone is O=C([C@@H]1CSCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is UQPXWBDXIVDGDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c17-11-1-2-14-12(7-11)16(3-5-18-6-4-16)9-20(14)15(21)13-8-22-10-19-13/h1-2,7,13,18-19H,3-6,8-10H2/t13-/m0/s1.
What are the key properties of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone?
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 337.88 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 97448933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).