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

C15H22N4O3 — CID 134342426

IUPACtert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C15H22N4O3/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,(H2,16,17)
InChIKeyCEQSDTAUGNDWGJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.36
Rot. Bonds1

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

tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 134342426) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID134342426
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C15H22N4O3/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,(H2,16,17)
InChIKeyCEQSDTAUGNDWGJ-UHFFFAOYSA-N
XLogP1.36
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62239740
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113418713
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
CID 170992060
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate (CID 134342426) is tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is CEQSDTAUGNDWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/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,(H2,16,17).
What are the key properties of tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 134342426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).