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

C17H23ClN2O — CID 143538635

IUPAC(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCC(CC)C1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C17H23ClN2O/c1-3-11(4-2)15-17(8-5-9-19-15)13-7-6-12(18)10-14(13)20-16(17)21/h6-7,10-11,15,19H,3-5,8-9H2,1-2H3,(H,20,21)/t15?,17-/m1/s1
InChIKeyDJPJAQFNQAFSQW-OMOCHNIRSA-N
MW306.84 g/mol
LogP3.72
Rot. Bonds3

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

(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 143538635) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID143538635
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCCC(CC)C1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C17H23ClN2O/c1-3-11(4-2)15-17(8-5-9-19-15)13-7-6-12(18)10-14(13)20-16(17)21/h6-7,10-11,15,19H,3-5,8-9H2,1-2H3,(H,20,21)/t15?,17-/m1/s1
InChIKeyDJPJAQFNQAFSQW-OMOCHNIRSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one with MolForge

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Related Compounds

chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538570
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 24875699
chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 143538645
(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 72546604
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
CID 155891599
(2'R,3S,5'R)-6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 58710844
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
6-chloro-2'-(3-chlorophenyl)-4'-(2,2-dimethylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558251
2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90935335

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one (CID 143538635) is (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one is CCC(CC)C1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is DJPJAQFNQAFSQW-OMOCHNIRSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-3-11(4-2)15-17(8-5-9-19-15)13-7-6-12(18)10-14(13)20-16(17)21/h6-7,10-11,15,19H,3-5,8-9H2,1-2H3,(H,20,21)/t15?,17-/m1/s1.
What are the key properties of (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 306.84 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 143538635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).