1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide

C14H18BrN3O3 — CID 54793928

IUPAC1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrN3O3/c15-11-3-5-12(6-4-11)21-9-13(19)18-7-1-2-10(8-18)14(20)17-16/h3-6,10H,1-2,7-9,16H2,(H,17,20)
InChIKeyFDNOFPPTVILKLS-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.06
Rot. Bonds4

About 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide

1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide (PubChem CID 54793928) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
PubChem CID54793928
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrN3O3/c15-11-3-5-12(6-4-11)21-9-13(19)18-7-1-2-10(8-18)14(20)17-16/h3-6,10H,1-2,7-9,16H2,(H,17,20)
InChIKeyFDNOFPPTVILKLS-UHFFFAOYSA-N
XLogP1.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.06
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromophenoxy)ethanone
CID 124611230
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide (CID 54793928) is 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide is NNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide?
The InChIKey is FDNOFPPTVILKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-11-3-5-12(6-4-11)21-9-13(19)18-7-1-2-10(8-18)14(20)17-16/h3-6,10H,1-2,7-9,16H2,(H,17,20).
What are the key properties of 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide?
1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide has a molecular weight of 356.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54793928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).