1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide

C20H19BrN4O3 — CID 24604761

IUPAC1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Br
InChIInChI=1S/C20H19BrN4O3/c21-15-6-2-1-5-14(15)19(27)24-23-18(26)13-9-11-25(12-10-13)20-22-16-7-3-4-8-17(16)28-20/h1-8,13H,9-12H2,(H,23,26)(H,24,27)
InChIKeyXYVZVISADMYFJW-UHFFFAOYSA-N
MW443.30 g/mol
LogP3.27
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide

1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide (PubChem CID 24604761) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide
PubChem CID24604761
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Br
InChIInChI=1S/C20H19BrN4O3/c21-15-6-2-1-5-14(15)19(27)24-23-18(26)13-9-11-25(12-10-13)20-22-16-7-3-4-8-17(16)28-20/h1-8,13H,9-12H2,(H,23,26)(H,24,27)
InChIKeyXYVZVISADMYFJW-UHFFFAOYSA-N
XLogP3.27
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
1-(1,3-benzoxazol-2-yl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 24607688
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide (CID 24604761) is 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Br.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide?
The InChIKey is XYVZVISADMYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c21-15-6-2-1-5-14(15)19(27)24-23-18(26)13-9-11-25(12-10-13)20-22-16-7-3-4-8-17(16)28-20/h1-8,13H,9-12H2,(H,23,26)(H,24,27).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide?
1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide has a molecular weight of 443.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 24604761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).