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(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]

C21H22Cl2N2 — CID 154380480

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]
SMILESCC(C)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C=Nc1cc(Cl)ccc12
InChIInChI=1S/C21H22Cl2N2/c1-13(2)20-21(12-25-19-11-16(23)6-7-18(19)21)17(8-9-24-20)14-4-3-5-15(22)10-14/h3-7,10-13,17,20,24H,8-9H2,1-2H3/t17-,20+,21-/m0/s1
InChIKeyKVRUCKPYJRKQKI-WMQCIHAUSA-N
MW373.33 g/mol
LogP5.75
Rot. Bonds2

About (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine] (PubChem CID 154380480) has the molecular formula C21H22Cl2N2 and a molecular weight of 373.33 g/mol. Its IUPAC name is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine].

Molecular Properties

Compound Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]
PubChem CID154380480
Molecular FormulaC21H22Cl2N2
Molecular Weight373.33 g/mol
Exact Mass372.12
IUPAC Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]
SMILESCC(C)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C=Nc1cc(Cl)ccc12
InChIInChI=1S/C21H22Cl2N2/c1-13(2)20-21(12-25-19-11-16(23)6-7-18(19)21)17(8-9-24-20)14-4-3-5-15(22)10-14/h3-7,10-13,17,20,24H,8-9H2,1-2H3/t17-,20+,21-/m0/s1
InChIKeyKVRUCKPYJRKQKI-WMQCIHAUSA-N
XLogP5.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]?
The IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine] (CID 154380480) is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine].
What is the SMILES notation for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]?
The canonical SMILES for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine] is CC(C)[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C=Nc1cc(Cl)ccc12.
What is the InChIKey of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]?
The InChIKey is KVRUCKPYJRKQKI-WMQCIHAUSA-N. The full InChI is InChI=1S/C21H22Cl2N2/c1-13(2)20-21(12-25-19-11-16(23)6-7-18(19)21)17(8-9-24-20)14-4-3-5-15(22)10-14/h3-7,10-13,17,20,24H,8-9H2,1-2H3/t17-,20+,21-/m0/s1.
What are the key properties of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]?
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine] has a molecular weight of 373.33 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 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'-propan-2-ylspiro[indole-3,3'-piperidine] is sourced from PubChem (CID 154380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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