1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H21BrFN3O3 — CID 55813073

IUPAC1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)COc3ccc(Br)cc3F)CC2)c1
InChIInChI=1S/C20H21BrFN3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-3-2-15(21)11-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27)
InChIKeyKIEKOLQAXIHNKK-UHFFFAOYSA-N
MW450.31 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55813073) has the molecular formula C20H21BrFN3O3 and a molecular weight of 450.31 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55813073
Molecular FormulaC20H21BrFN3O3
Molecular Weight450.31 g/mol
Exact Mass449.08
IUPAC Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)COc3ccc(Br)cc3F)CC2)c1
InChIInChI=1S/C20H21BrFN3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-3-2-15(21)11-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27)
InChIKeyKIEKOLQAXIHNKK-UHFFFAOYSA-N
XLogP3.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)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

1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 25477037
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55813073) is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)COc3ccc(Br)cc3F)CC2)c1.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is KIEKOLQAXIHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-3-2-15(21)11-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27).
What are the key properties of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 450.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55813073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).