ethyl 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

HCID 57750296
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Basic information

Standard SMILES
CCOC(=O)C1(CNC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
RCMICQADEVEJND-UHFFFAOYSA-N
Molecular formula
C20H29N5O4
Average molar mass
403.5 g/mol

Names & identifiers

Preferred name
ethyl 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
IUPAC
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Names & synonyms

ethyl 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate1035346-40-7SCHEMBL391879RCMICQADEVEJND-UHFFFAOYSA-NDB-342761

Database identifiers

PubChem CID
57750296

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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