N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide

C21H23BrN2O4 — CID 112771544

IUPACN-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCCC(CO)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O4/c22-16-7-9-17(10-8-16)23-20(26)14-28-19-6-2-1-5-18(19)21(27)24-11-3-4-15(12-24)13-25/h1-2,5-10,15,25H,3-4,11-14H2,(H,23,26)
InChIKeyOSMSGAWNZCJACE-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.31
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide

N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 112771544) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID112771544
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC NameN-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCCC(CO)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O4/c22-16-7-9-17(10-8-16)23-20(26)14-28-19-6-2-1-5-18(19)21(27)24-11-3-4-15(12-24)13-25/h1-2,5-10,15,25H,3-4,11-14H2,(H,23,26)
InChIKeyOSMSGAWNZCJACE-UHFFFAOYSA-N
XLogP3.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 4216558
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259
2-(2,4-dibromophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403399
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(3-bromo-2-ethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 146464564
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide (CID 112771544) is N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide is O=C(COc1ccccc1C(=O)N1CCCC(CO)C1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is OSMSGAWNZCJACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c22-16-7-9-17(10-8-16)23-20(26)14-28-19-6-2-1-5-18(19)21(27)24-11-3-4-15(12-24)13-25/h1-2,5-10,15,25H,3-4,11-14H2,(H,23,26).
What are the key properties of N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide?
N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 447.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 112771544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).