(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one

C23H26Cl2N2O — CID 24875699

IUPAC(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCC(CC)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C23H26Cl2N2O/c1-3-14(4-2)21-23(19-9-8-17(25)13-20(19)27-22(23)28)18(10-11-26-21)15-6-5-7-16(24)12-15/h5-9,12-14,18,21,26H,3-4,10-11H2,1-2H3,(H,27,28)/t18-,21+,23+/m0/s1
InChIKeyHHWGJKRUXQJRLR-QTGUNEKASA-N
MW417.38 g/mol
LogP5.77
Rot. Bonds4

About (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 24875699) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID24875699
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCC(CC)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C23H26Cl2N2O/c1-3-14(4-2)21-23(19-9-8-17(25)13-20(19)27-22(23)28)18(10-11-26-21)15-6-5-7-16(24)12-15/h5-9,12-14,18,21,26H,3-4,10-11H2,1-2H3,(H,27,28)/t18-,21+,23+/m0/s1
InChIKeyHHWGJKRUXQJRLR-QTGUNEKASA-N
XLogP5.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 24875700
6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558263
3-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-2'-yl]benzonitrile
CID 24875426
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 143538635
6-chloro-2'-(3-chlorophenyl)-4'-(2,2-dimethylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558251
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538570
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68904501
(4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91136694
6-chloro-4'-(3-chlorophenyl)-6'-(4-methylpent-1-en-2-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 69156437
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 159798374

Frequently Asked Questions

What is the IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one (CID 24875699) is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one is CCC(CC)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is HHWGJKRUXQJRLR-QTGUNEKASA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c1-3-14(4-2)21-23(19-9-8-17(25)13-20(19)27-22(23)28)18(10-11-26-21)15-6-5-7-16(24)12-15/h5-9,12-14,18,21,26H,3-4,10-11H2,1-2H3,(H,27,28)/t18-,21+,23+/m0/s1.
What are the key properties of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 417.38 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 24875699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).