1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide

C20H28BrN3O3 — CID 55860378

IUPAC1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C20H28BrN3O3/c1-3-4-10-23(2)20(27)15-8-11-24(12-9-15)18(25)14-22-19(26)16-6-5-7-17(21)13-16/h5-7,13,15H,3-4,8-12,14H2,1-2H3,(H,22,26)
InChIKeyUAZKLUZUFDHWMR-UHFFFAOYSA-N
MW438.37 g/mol
LogP2.68
Rot. Bonds7

About 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide

1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide (PubChem CID 55860378) has the molecular formula C20H28BrN3O3 and a molecular weight of 438.37 g/mol. Its IUPAC name is 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
PubChem CID55860378
Molecular FormulaC20H28BrN3O3
Molecular Weight438.37 g/mol
Exact Mass437.13
IUPAC Name1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C20H28BrN3O3/c1-3-4-10-23(2)20(27)15-8-11-24(12-9-15)18(25)14-22-19(26)16-6-5-7-17(21)13-16/h5-7,13,15H,3-4,8-12,14H2,1-2H3,(H,22,26)
InChIKeyUAZKLUZUFDHWMR-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
CID 55860372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55815420
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide (CID 55860378) is 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide?
The InChIKey is UAZKLUZUFDHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3O3/c1-3-4-10-23(2)20(27)15-8-11-24(12-9-15)18(25)14-22-19(26)16-6-5-7-17(21)13-16/h5-7,13,15H,3-4,8-12,14H2,1-2H3,(H,22,26).
What are the key properties of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide?
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide has a molecular weight of 438.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55860378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).