tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate

C15H22BrN3O2 — CID 67958593

IUPACtert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cncc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-12(10-19)18-13-7-11(16)8-17-9-13/h7-9,12,18H,4-6,10H2,1-3H3
InChIKeyGVHOSFKXQXXZNT-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.66
Rot. Bonds2

About tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 67958593) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID67958593
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Nametert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cncc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-12(10-19)18-13-7-11(16)8-17-9-13/h7-9,12,18H,4-6,10H2,1-3H3
InChIKeyGVHOSFKXQXXZNT-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4-bromo-3,5-dimethylanilino)piperidine-1-carboxylate
CID 107572267
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
tert-butyl 3-(4-bromo-2-methylanilino)piperidine-1-carboxylate
CID 103648700
5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 162047212
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl (2S)-2-[(5-bromo-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155715861
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate (CID 67958593) is tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2cncc(Br)c2)C1.
What is the InChIKey of tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is GVHOSFKXQXXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-12(10-19)18-13-7-11(16)8-17-9-13/h7-9,12,18H,4-6,10H2,1-3H3.
What are the key properties of tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 67958593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).