(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione

C44H40Cl4N4O4 — CID 157263978

IUPAC(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione
SMILESO=C1CC[C@@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1.O=C1CC[C@H](c2cccc(Cl)c2)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
InChIInChI=1S/2C22H20Cl2N2O2/c2*23-15-3-1-2-14(10-15)17-8-9-20(27)26(12-13-4-5-13)22(17)18-7-6-16(24)11-19(18)25-21(22)28/h2*1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,25,28)/t2*17-,22+/m10/s1
InChIKeyAXUBDIINENKOCQ-UZGZRLCMSA-N
MW830.64 g/mol
LogP9.91
Rot. Bonds6

About (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione

(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione (PubChem CID 157263978) has the molecular formula C44H40Cl4N4O4 and a molecular weight of 830.64 g/mol. Its IUPAC name is (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione
PubChem CID157263978
Molecular FormulaC44H40Cl4N4O4
Molecular Weight830.64 g/mol
Exact Mass828.18
IUPAC Name(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione
SMILESO=C1CC[C@@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1.O=C1CC[C@H](c2cccc(Cl)c2)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
InChIInChI=1S/2C22H20Cl2N2O2/c2*23-15-3-1-2-14(10-15)17-8-9-20(27)26(12-13-4-5-13)22(17)18-7-6-16(24)11-19(18)25-21(22)28/h2*1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,25,28)/t2*17-,22+/m10/s1
InChIKeyAXUBDIINENKOCQ-UZGZRLCMSA-N
XLogP9.91
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.64
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione with MolForge

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Related Compounds

2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid
CID 67999286
(3S,3'S,4'S,5'S)-6-chloro-3'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-5'-(2-hydroxyethyl)-4'-nitrospiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 118439510
ethyl 2-[(3S,3'aS,6'S,6'aS)-6-chloro-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,5'-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole]-1'-yl]acetate
CID 118439620
methyl 4-[(3S,3'R,3'aS,7'aS)-6-chloro-3'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,4'-dioxospiro[1H-indole-3,2'-3a,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridine]-5'-yl]benzoate
CID 118636468
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
methyl 4-[(3S,3'R,3'aS,7'aS)-6-chloro-3'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,4'-dioxospiro[1H-indole-3,2'-3a,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridine]-5'-yl]-3-methoxybenzoate
CID 118636471
2-[(3S,3'R,3'aS,6'aR)-6-chloro-3'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,4'-dioxospiro[1H-indole-3,2'-3,3a,6,6a-tetrahydropyrrolo[3,4-b]pyrrole]-5'-yl]-1,3-thiazole-4-carboxylic acid
CID 118641446
(3S,3'R,5'R)-6-chloro-3'-(3-chloro-2,4-difluorophenyl)-1'-(cyclopropylmethyl)-5'-(hydroxymethyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 138646527
(3S,3'S,4'S,5'R)-4'-amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-(cyclopropylmethyl)-5'-[(1S)-1-hydroxyethyl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 130381341
(3S,3'R,3'aR,6'aR)-6-chloro-3'-(4-chlorothiophen-2-yl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,2'-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]pyrrole]-2,4'-dione
CID 147682651
6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558263
(3S,3'aS,6'S)-6-chloro-6'-(3-chloro-2-fluorophenyl)-4'-(cyclopropylmethyl)-1'-(3-hydroxypropanoyl)spiro[1H-indole-3,5'-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole]-2-one
CID 118439667

Frequently Asked Questions

What is the IUPAC name of (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione?
The IUPAC name of (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione (CID 157263978) is (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione.
What is the SMILES notation for (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione?
The canonical SMILES for (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione is O=C1CC[C@@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1.O=C1CC[C@H](c2cccc(Cl)c2)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1.
What is the InChIKey of (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione?
The InChIKey is AXUBDIINENKOCQ-UZGZRLCMSA-N. The full InChI is InChI=1S/2C22H20Cl2N2O2/c2*23-15-3-1-2-14(10-15)17-8-9-20(27)26(12-13-4-5-13)22(17)18-7-6-16(24)11-19(18)25-21(22)28/h2*1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,25,28)/t2*17-,22+/m10/s1.
What are the key properties of (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione?
(3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione has a molecular weight of 830.64 g/mol, XLogP of 9.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione;(3R,5'S)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)spiro[1H-indole-3,6'-piperidine]-2,2'-dione is sourced from PubChem (CID 157263978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).