tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate

C15H20BrN3O3 — CID 58229734

IUPACtert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3
InChIKeyYDSKRDZTYXESNQ-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 58229734) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID58229734
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Nametert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3
InChIKeyYDSKRDZTYXESNQ-UHFFFAOYSA-N
XLogP2.54
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
tert-butyl (3R)-4-(6-bromo-2-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 86329594
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 3-(6-bromo-2-pyridinyl)-3-hydroxyazetidine-1-carboxylate
CID 155978021
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630068
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
tert-butyl (3R)-3-[(6-bromo-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 96889542

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate (CID 58229734) is tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is YDSKRDZTYXESNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 370.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 58229734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).