tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate

C14H22N4O3 — CID 143289183

IUPACtert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(NO)cn2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-8-6-17(7-9-18)12-5-4-11(16-20)10-15-12/h4-5,10,16,20H,6-9H2,1-3H3
InChIKeyKQBVEYNHVUQIGU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 143289183) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID143289183
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(NO)cn2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-8-6-17(7-9-18)12-5-4-11(16-20)10-15-12/h4-5,10,16,20H,6-9H2,1-3H3
InChIKeyKQBVEYNHVUQIGU-UHFFFAOYSA-N
XLogP1.94
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 2771843
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl 4-[5-[(Z)-hydroxyiminomethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 124502961
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[5-[(5-chloro-1-ethylindole-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 59365160
tert-butyl 4-[5-[3-fluoro-4-(methylamino)phenyl]-2-pyridinyl]piperazine-1-carboxylate
CID 144646161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate (CID 143289183) is tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(NO)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is KQBVEYNHVUQIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-8-6-17(7-9-18)12-5-4-11(16-20)10-15-12/h4-5,10,16,20H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 143289183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).