4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide

C19H22BrN3O4 — CID 71799516

IUPAC4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)c1OC
InChIInChI=1S/C19H22BrN3O4/c1-25-16-7-3-6-15(17(16)26-2)22-19(24)23-11-8-13(9-12-23)27-18-14(20)5-4-10-21-18/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyATRGQCWJDANLJP-UHFFFAOYSA-N
MW436.31 g/mol
LogP3.94
Rot. Bonds5

About 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide

4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 71799516) has the molecular formula C19H22BrN3O4 and a molecular weight of 436.31 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID71799516
Molecular FormulaC19H22BrN3O4
Molecular Weight436.31 g/mol
Exact Mass435.08
IUPAC Name4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)c1OC
InChIInChI=1S/C19H22BrN3O4/c1-25-16-7-3-6-15(17(16)26-2)22-19(24)23-11-8-13(9-12-23)27-18-14(20)5-4-10-21-18/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyATRGQCWJDANLJP-UHFFFAOYSA-N
XLogP3.94
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
N-(2,3-dimethoxyphenyl)-4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171991175
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide (CID 71799516) is 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)c1OC.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ATRGQCWJDANLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4/c1-25-16-7-3-6-15(17(16)26-2)22-19(24)23-11-8-13(9-12-23)27-18-14(20)5-4-10-21-18/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71799516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).