tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate

C17H24IN3O3 — CID 155248489

IUPACtert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H24IN3O3/c1-17(2,3)24-16(23)21-10-8-12(9-11-21)19-20-15(22)13-6-4-5-7-14(13)18/h4-7,12,19H,8-11H2,1-3H3,(H,20,22)
InChIKeyCLINZOJBILPPHK-UHFFFAOYSA-N
MW445.30 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate (PubChem CID 155248489) has the molecular formula C17H24IN3O3 and a molecular weight of 445.30 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate
PubChem CID155248489
Molecular FormulaC17H24IN3O3
Molecular Weight445.30 g/mol
Exact Mass445.09
IUPAC Nametert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H24IN3O3/c1-17(2,3)24-16(23)21-10-8-12(9-11-21)19-20-15(22)13-6-4-5-7-14(13)18/h4-7,12,19H,8-11H2,1-3H3,(H,20,22)
InChIKeyCLINZOJBILPPHK-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate
CID 67643209
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
CID 140513124
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate (CID 155248489) is tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NNC(=O)c2ccccc2I)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate?
The InChIKey is CLINZOJBILPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24IN3O3/c1-17(2,3)24-16(23)21-10-8-12(9-11-21)19-20-15(22)13-6-4-5-7-14(13)18/h4-7,12,19H,8-11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate has a molecular weight of 445.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate is sourced from PubChem (CID 155248489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).