tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate

C28H37N5O5 — CID 57389785

IUPACtert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCn1c(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C28H37N5O5/c1-27(2,3)38-26(36)32-11-9-28(10-12-32)19-33(21-8-6-5-7-20(21)28)25(35)17-22-29-23(18-24(34)30(22)4)31-13-15-37-16-14-31/h5-8,18H,9-17,19H2,1-4H3
InChIKeyDBXGGHDKOIREAS-UHFFFAOYSA-N
MW523.63 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 57389785) has the molecular formula C28H37N5O5 and a molecular weight of 523.63 g/mol. Its IUPAC name is tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID57389785
Molecular FormulaC28H37N5O5
Molecular Weight523.63 g/mol
Exact Mass523.28
IUPAC Nametert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCn1c(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C28H37N5O5/c1-27(2,3)38-26(36)32-11-9-28(10-12-32)19-33(21-8-6-5-7-20(21)28)25(35)17-22-29-23(18-24(34)30(22)4)31-13-15-37-16-14-31/h5-8,18H,9-17,19H2,1-4H3
InChIKeyDBXGGHDKOIREAS-UHFFFAOYSA-N
XLogP2.47
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
1-(4-fluoro-2,3-dihydroindol-1-yl)-2-(1-methyl-4-morpholin-4-yl-6-sulfanylidenepyrimidin-2-yl)ethanone
CID 86699292
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 5-bromo-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 159935182
1-O'-tert-butyl 1-O-(2-trimethylsilylethyl) 5-formylspiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxylate
CID 90449756
tert-butyl 6-aminospiro[2H-indole-3,4'-oxane]-1-carboxylate
CID 156632833
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
1-O-tert-butyl 1-O'-(5-carbamoyl-2-adamantyl) spiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylate
CID 58137263
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
tert-butyl 1'-[(3-methyl-2-bicyclo[3.3.1]nonanyl)carbamoyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 71125884
tert-butyl 4-[4-(2-chloro-6-morpholin-4-yl-4-pyridinyl)phenyl]piperazine-1-carboxylate
CID 86672044

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate (CID 57389785) is tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate is Cn1c(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)nc(N2CCOCC2)cc1=O.
What is the InChIKey of tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is DBXGGHDKOIREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O5/c1-27(2,3)38-26(36)32-11-9-28(10-12-32)19-33(21-8-6-5-7-20(21)28)25(35)17-22-29-23(18-24(34)30(22)4)31-13-15-37-16-14-31/h5-8,18H,9-17,19H2,1-4H3.
What are the key properties of tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 523.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 57389785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).