ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate

C16H22N2O2 — CID 143140741

IUPACethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CN(C)c1ccccc12
InChIInChI=1S/C16H22N2O2/c1-3-20-15(19)18-10-8-16(9-11-18)12-17(2)14-7-5-4-6-13(14)16/h4-7H,3,8-12H2,1-2H3
InChIKeyAHETVQMVKPBHPG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.63
Rot. Bonds1

About ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate

ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 143140741) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID143140741
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CN(C)c1ccccc12
InChIInChI=1S/C16H22N2O2/c1-3-20-15(19)18-10-8-16(9-11-18)12-17(2)14-7-5-4-6-13(14)16/h4-7H,3,8-12H2,1-2H3
InChIKeyAHETVQMVKPBHPG-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
(E)-4-methyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)hept-4-en-3-one
CID 142841852
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 159479353
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
CID 97411107
N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide
CID 166300989
1-O'-tert-butyl 1-O,1-O'-diethyl spiro[2H-indene-3,4'-piperidine]-1,1,1'-tricarboxylate
CID 139654515
ethyl 4-hydroxy-4-[2-(3-hydroxypropyl)phenyl]piperidine-1-carboxylate
CID 69136867
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate (CID 143140741) is ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CN(C)c1ccccc12.
What is the InChIKey of ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is AHETVQMVKPBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-15(19)18-10-8-16(9-11-18)12-17(2)14-7-5-4-6-13(14)16/h4-7H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 143140741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).