N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide

C22H22BrN3O4 — CID 55932274

IUPACN-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)c(C)c2c1
InChIInChI=1S/C22H22BrN3O4/c1-13-17-11-16(29-2)4-5-18(17)30-20(13)22(28)26-9-7-14(8-10-26)21(27)25-19-6-3-15(23)12-24-19/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25,27)
InChIKeyQDYCNCZGFGAVCH-UHFFFAOYSA-N
MW472.34 g/mol
LogP4.40
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55932274) has the molecular formula C22H22BrN3O4 and a molecular weight of 472.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
PubChem CID55932274
Molecular FormulaC22H22BrN3O4
Molecular Weight472.34 g/mol
Exact Mass471.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)c(C)c2c1
InChIInChI=1S/C22H22BrN3O4/c1-13-17-11-16(29-2)4-5-18(17)30-20(13)22(28)26-9-7-14(8-10-26)21(27)25-19-6-3-15(23)12-24-19/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25,27)
InChIKeyQDYCNCZGFGAVCH-UHFFFAOYSA-N
XLogP4.40
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
(3,4-dichlorophenyl)-[1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]methanone
CID 55956890
[1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 60550137
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 55818359
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862268
1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078232
5-methoxy-3-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 55672407
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide (CID 55932274) is N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide is COc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)c(C)c2c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is QDYCNCZGFGAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O4/c1-13-17-11-16(29-2)4-5-18(17)30-20(13)22(28)26-9-7-14(8-10-26)21(27)25-19-6-3-15(23)12-24-19/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 472.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55932274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).