4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

C18H25N3O3 — CID 2213249

IUPAC4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)14-9-7-13(8-10-14)15(22)19-20-16(23)17(24)21-11-5-4-6-12-21/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRZHAQTPYNYYOKE-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds1

About 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (PubChem CID 2213249) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
PubChem CID2213249
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)14-9-7-13(8-10-14)15(22)19-20-16(23)17(24)21-11-5-4-6-12-21/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRZHAQTPYNYYOKE-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
CID 17386597
3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 4280976
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 7767931
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N'-(2-oxo-2-piperidin-1-ylacetyl)furan-2-carbohydrazide
CID 2263224
amino 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]benzoate
CID 163742908
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (CID 2213249) is 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The InChIKey is RZHAQTPYNYYOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)14-9-7-13(8-10-14)15(22)19-20-16(23)17(24)21-11-5-4-6-12-21/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide has a molecular weight of 331.42 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 2213249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).