1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide

C14H18BrN3O2 — CID 8530969

IUPAC1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-11-2-1-3-12(8-11)17-13(19)9-18-6-4-10(5-7-18)14(16)20/h1-3,8,10H,4-7,9H2,(H2,16,20)(H,17,19)
InChIKeyMGUCVAFHBUUIIU-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8530969) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8530969
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-11-2-1-3-12(8-11)17-13(19)9-18-6-4-10(5-7-18)14(16)20/h1-3,8,10H,4-7,9H2,(H2,16,20)(H,17,19)
InChIKeyMGUCVAFHBUUIIU-UHFFFAOYSA-N
XLogP1.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124819
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 8530969) is 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is MGUCVAFHBUUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-2-1-3-12(8-11)17-13(19)9-18-6-4-10(5-7-18)14(16)20/h1-3,8,10H,4-7,9H2,(H2,16,20)(H,17,19).
What are the key properties of 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).