1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide

C15H20BrN3O2 — CID 9180450

IUPAC1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18(2)17-14(20)11-7-9-19(10-8-11)15(21)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyNKTYLRUWXKIBMP-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide

1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide (PubChem CID 9180450) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
PubChem CID9180450
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18(2)17-14(20)11-7-9-19(10-8-11)15(21)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyNKTYLRUWXKIBMP-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The IUPAC name of 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide (CID 9180450) is 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide is CN(C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The InChIKey is NKTYLRUWXKIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-18(2)17-14(20)11-7-9-19(10-8-11)15(21)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide?
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide has a molecular weight of 354.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide is sourced from PubChem (CID 9180450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).