ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate

C21H24N2O4 — CID 95710662

IUPACethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C21H24N2O4/c1-3-26-19(24)18-10-9-15(27-18)13-23-12-6-11-21(14-23)16-7-4-5-8-17(16)22(2)20(21)25/h4-5,7-10H,3,6,11-14H2,1-2H3/t21-/m0/s1
InChIKeyQNJLRZDINLVZFB-NRFANRHFSA-N
MW368.43 g/mol
LogP2.97
Rot. Bonds4

About ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate

ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate (PubChem CID 95710662) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
PubChem CID95710662
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C21H24N2O4/c1-3-26-19(24)18-10-9-15(27-18)13-23-12-6-11-21(14-23)16-7-4-5-8-17(16)22(2)20(21)25/h4-5,7-10H,3,6,11-14H2,1-2H3/t21-/m0/s1
InChIKeyQNJLRZDINLVZFB-NRFANRHFSA-N
XLogP2.97
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate (CID 95710662) is ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)o1.
What is the InChIKey of ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate?
The InChIKey is QNJLRZDINLVZFB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-19(24)18-10-9-15(27-18)13-23-12-6-11-21(14-23)16-7-4-5-8-17(16)22(2)20(21)25/h4-5,7-10H,3,6,11-14H2,1-2H3/t21-/m0/s1.
What are the key properties of ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate?
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 95710662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).