(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C20H19ClN2O2 — CID 143538298

IUPAC(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCc1ccccc1[C@H]1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C20H19ClN2O2/c1-2-12-5-3-4-6-14(12)18-20(10-9-17(24)23-18)15-8-7-13(21)11-16(15)22-19(20)25/h3-8,11,18H,2,9-10H2,1H3,(H,22,25)(H,23,24)/t18-,20-/m1/s1
InChIKeyNYUAGZZEXMVQIR-UYAOXDASSA-N
MW354.84 g/mol
LogP3.74
Rot. Bonds2

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

(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143538298) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID143538298
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCc1ccccc1[C@H]1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C20H19ClN2O2/c1-2-12-5-3-4-6-14(12)18-20(10-9-17(24)23-18)15-8-7-13(21)11-16(15)22-19(20)25/h3-8,11,18H,2,9-10H2,1H3,(H,22,25)(H,23,24)/t18-,20-/m1/s1
InChIKeyNYUAGZZEXMVQIR-UYAOXDASSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538505
chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538570
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
CID 143819943
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143820043
4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
CID 143820078
(3R,6'S)-6'-[3-bromo-2-fluoro-6-(2-hydroxyethoxy)phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143538231
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143820044
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 143538635
(2'S,3R)-6-chloro-2'-(2,3-difluoro-6-propan-2-yloxyphenyl)-6'-sulfanylidenespiro[1H-indole-3,3'-piperidine]-2-one
CID 143538652

Frequently Asked Questions

What is the IUPAC name of (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143538298) is (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is CCc1ccccc1[C@H]1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is NYUAGZZEXMVQIR-UYAOXDASSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-12-5-3-4-6-14(12)18-20(10-9-17(24)23-18)15-8-7-13(21)11-16(15)22-19(20)25/h3-8,11,18H,2,9-10H2,1H3,(H,22,25)(H,23,24)/t18-,20-/m1/s1.
What are the key properties of (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 354.84 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143538298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).