1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide

C22H26BrN3O2 — CID 24565676

IUPAC1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccccc1Br
InChIInChI=1S/C22H26BrN3O2/c1-25(15-18-7-5-6-10-20(18)23)16-21(27)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyQBIGNHQSXLVYAE-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.76
Rot. Bonds6

About 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 24565676) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID24565676
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC Name1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccccc1Br
InChIInChI=1S/C22H26BrN3O2/c1-25(15-18-7-5-6-10-20(18)23)16-21(27)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyQBIGNHQSXLVYAE-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-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

1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41405249
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 47551610
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide (CID 24565676) is 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide is CN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccccc1Br.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QBIGNHQSXLVYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-25(15-18-7-5-6-10-20(18)23)16-21(27)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,24,28).
What are the key properties of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24565676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).