N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C20H21BrN2O3 — CID 39355313

IUPACN-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O3/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-14(10-12-23)19(24)22-17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChIKeyLNGUNIBDPCECSG-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.95
Rot. Bonds4

About N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 39355313) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID39355313
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O3/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-14(10-12-23)19(24)22-17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChIKeyLNGUNIBDPCECSG-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-(4-bromophenyl)-1-(3-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

methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 39355313) is N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is LNGUNIBDPCECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-14(10-12-23)19(24)22-17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-(4-bromophenyl)-1-(3-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-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 39355313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).