1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone

C15H19ClN2O — CID 71130193

IUPAC1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2O/c1-11(19)18-10-15(5-7-17(2)8-6-15)13-9-12(16)3-4-14(13)18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBEDURCXNWHLFEE-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.67
Rot. Bonds

About 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone

1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (PubChem CID 71130193) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
PubChem CID71130193
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2O/c1-11(19)18-10-15(5-7-17(2)8-6-15)13-9-12(16)3-4-14(13)18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBEDURCXNWHLFEE-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The IUPAC name of 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (CID 71130193) is 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The canonical SMILES for 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is CC(=O)N1CC2(CCN(C)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The InChIKey is BEDURCXNWHLFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(19)18-10-15(5-7-17(2)8-6-15)13-9-12(16)3-4-14(13)18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone has a molecular weight of 278.78 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is sourced from PubChem (CID 71130193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).