N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C20H21BrN2O3 — CID 1245576

IUPACN-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-6-4-5-15(13-16)20(25)23-11-9-14(10-12-23)19(24)22-18-8-3-2-7-17(18)21/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChIKeyCJHOTAFJOJAEBF-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.95
Rot. Bonds4

About N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1245576) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID1245576
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-6-4-5-15(13-16)20(25)23-11-9-14(10-12-23)19(24)22-18-8-3-2-7-17(18)21/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChIKeyCJHOTAFJOJAEBF-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

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Related Compounds

N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 1245576) is N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1.
What is the InChIKey of N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is CJHOTAFJOJAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-26-16-6-4-5-15(13-16)20(25)23-11-9-14(10-12-23)19(24)22-18-8-3-2-7-17(18)21/h2-8,13-14H,9-12H2,1H3,(H,22,24).
What are the key properties of N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-(2-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-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1245576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).