N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide

C20H21BrN2O3 — CID 1327363

IUPACN-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-8-6-15(7-9-16)20(25)23-12-10-14(11-13-23)19(24)22-18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyTXUVXDYDCDMQPN-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.95
Rot. Bonds4

About N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide

N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1327363) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID1327363
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-8-6-15(7-9-16)20(25)23-12-10-14(11-13-23)19(24)22-18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyTXUVXDYDCDMQPN-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-1-(4-methoxybenzoyl)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

N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (CID 1327363) is N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is TXUVXDYDCDMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-26-16-8-6-15(7-9-16)20(25)23-12-10-14(11-13-23)19(24)22-18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).