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

C14H17ClN2O — CID 57319997

IUPAC1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-10(18)17-9-14(4-6-16-7-5-14)12-8-11(15)2-3-13(12)17/h2-3,8,16H,4-7,9H2,1H3
InChIKeyBWLWOGAORABMAD-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.33
Rot. Bonds

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

1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (PubChem CID 57319997) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
PubChem CID57319997
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-10(18)17-9-14(4-6-16-7-5-14)12-8-11(15)2-3-13(12)17/h2-3,8,16H,4-7,9H2,1H3
InChIKeyBWLWOGAORABMAD-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The IUPAC name of 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (CID 57319997) is 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is CC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The InChIKey is BWLWOGAORABMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(18)17-9-14(4-6-16-7-5-14)12-8-11(15)2-3-13(12)17/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone has a molecular weight of 264.76 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is sourced from PubChem (CID 57319997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).