Tert-butyl 4-(4-methoxyphenylcarbamoyl)-3-((pyridin-3-ylamino)methyl)piperazine-1-carboxylate

HCID 59671481
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CNc2cccnc2)cc1
InChIKey
GAWNJXKCWNKDNJ-UHFFFAOYSA-N
Molecular formula
C23H31N5O4
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(4-methoxyphenylcarbamoyl)-3-((pyridin-3-ylamino)methyl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[(4-methoxyphenyl)carbamoyl]-3-[(pyridin-3-ylamino)methyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL782770GAWNJXKCWNKDNJ-UHFFFAOYSA-Ntert-butyl 4-(4-methoxyphenylcarbamoyl)-3-((pyridin-3-ylamino)methyl)piperazine-1-carboxylate

Database identifiers

PubChem CID
59671481

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
96 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

Loading…