Tert-butyl 2-(1-((1-benzylpiperidine-4-yl)(methyl)amino)-1-oxopropane-2-yloxy)-4,6-dimethylpyrimidine-5-ylcarbamate

HCID 59336090

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(OC(C)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1NC(=O)OC(C)(C)C
InChIKey: CDYDFXZSWDERLL-UHFFFAOYSA-N
Molecular formula: C27H39N5O4
Average molar mass: 497.6 g/mol

Names & identifiers

Preferred name: Tert-butyl 2-(1-((1-benzylpiperidine-4-yl)(methyl)amino)-1-oxopropane-2-yloxy)-4,6-dimethylpyrimidine-5-ylcarbamate
IUPAC: tert-butyl N-[2-[1-[(1-benzylpiperidin-4-yl)-methylamino]-1-oxopropan-2-yl]oxy-4,6-dimethylpyrimidin-5-yl]carbamate

Names & synonyms

SCHEMBL2843428CDYDFXZSWDERLL-UHFFFAOYSA-Ntert-butyl 2-(1-((1-benzylpiperidine-4-yl)(methyl)amino)-1-oxopropane-2-yloxy)-4,6-dimethylpyrimidine-5-ylcarbamate

Database identifiers

PubChem CID: 59336090

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 96.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 36
Formal charge: 0
Complexity: 703

Related reactions

10 records

New reaction record

HRID 1142774As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1206115As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1749295As productuspto-grants-2015_10

HRID 1749306As reactantuspto-grants-2015_10

HRID 2046347As productuspto-grants-2013_11

HRID 2046363As reactantuspto-grants-2013_11

HRID 2280921As productuspto-grants-2015_09

HRID 2280936As reactantuspto-grants-2015_09

Compound notes

Loading…