methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate

C14H17ClN2O2 — CID 97408008

IUPACmethyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCOC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-19-13(18)17-9-14(4-6-16-7-5-14)11-8-10(15)2-3-12(11)17/h2-3,8,16H,4-7,9H2,1H3
InChIKeyLIEWCUMKKBPFRB-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.55
Rot. Bonds

About methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate

methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 97408008) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID97408008
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Namemethyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCOC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-19-13(18)17-9-14(4-6-16-7-5-14)11-8-10(15)2-3-12(11)17/h2-3,8,16H,4-7,9H2,1H3
InChIKeyLIEWCUMKKBPFRB-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 97408008) is methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is COC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is LIEWCUMKKBPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-19-13(18)17-9-14(4-6-16-7-5-14)11-8-10(15)2-3-12(11)17/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 280.75 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 97408008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).