ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

C20H24N4O2 — CID 159479353

IUPACethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-2-26-19(25)24-14-20(16-5-3-4-6-17(16)24)8-11-23(12-9-20)18-13-15(21)7-10-22-18/h3-7,10,13H,2,8-9,11-12,14H2,1H3,(H2,21,22)
InChIKeyLWUNQTZXSWVPGF-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.18
Rot. Bonds2

About ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 159479353) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nameethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID159479353
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nameethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-2-26-19(25)24-14-20(16-5-3-4-6-17(16)24)8-11-23(12-9-20)18-13-15(21)7-10-22-18/h3-7,10,13H,2,8-9,11-12,14H2,1H3,(H2,21,22)
InChIKeyLWUNQTZXSWVPGF-UHFFFAOYSA-N
XLogP3.18
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 44573250
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 16730658
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 71193378
N-[(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
CID 69401295
2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
CID 71193560
(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
CID 16730580
(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
CID 69400937
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 143462326
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428

Frequently Asked Questions

What is the IUPAC name of ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 159479353) is ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is CCOC(=O)N1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21.
What is the InChIKey of ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is LWUNQTZXSWVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-19(25)24-14-20(16-5-3-4-6-17(16)24)8-11-23(12-9-20)18-13-15(21)7-10-22-18/h3-7,10,13H,2,8-9,11-12,14H2,1H3,(H2,21,22).
What are the key properties of ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 159479353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).