tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate

C18H25N3O3 — CID 11616910

IUPACtert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C(C(=O)NN)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)15(16(22)20-19)13-7-5-4-6-8-13/h4-8H,9-12,19H2,1-3H3,(H,20,22)
InChIKeyYSQHFYZJUYPJOD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate

tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate (PubChem CID 11616910) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate
PubChem CID11616910
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C(C(=O)NN)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)15(16(22)20-19)13-7-5-4-6-8-13/h4-8H,9-12,19H2,1-3H3,(H,20,22)
InChIKeyYSQHFYZJUYPJOD-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)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 4-[2-[2-(2-ethoxy-2-oxoacetyl)hydrazinyl]-2-oxo-1-phenylethylidene]piperidine-1-carboxylate
CID 101384260
4-[bromo-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]benzoic acid
CID 10834544
tert-butyl 4-[(4-methylsulfonylphenyl)-phenylmethylidene]piperidine-1-carboxylate
CID 151888152
CID 88986772
CID 88986772
tert-butyl 3-(1-phenylethylidene)azetidine-1-carboxylate
CID 156785803
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 4-(benzoylcarbamothioyl)piperazine-1-carboxylate;hydrochloride
CID 45371218
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 19381592
tert-butyl 4-[(4-acetylphenyl)-bromomethylidene]piperidine-1-carboxylate
CID 71088853
tert-butyl 3-oxo-2-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine-6-carboxylate
CID 67269055
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate (CID 11616910) is tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=C(C(=O)NN)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate?
The InChIKey is YSQHFYZJUYPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)15(16(22)20-19)13-7-5-4-6-8-13/h4-8H,9-12,19H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate?
tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydrazinyl-2-oxo-1-phenylethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 11616910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).