N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

C16H23BrN2O3 — CID 29235706

IUPACN-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C16H23BrN2O3/c1-18(10-11-22-15-4-2-13(17)3-5-15)16(21)12-19-8-6-14(20)7-9-19/h2-5,14,20H,6-12H2,1H3
InChIKeySCEBQVDYYOKBPD-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.74
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (PubChem CID 29235706) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
PubChem CID29235706
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C16H23BrN2O3/c1-18(10-11-22-15-4-2-13(17)3-5-15)16(21)12-19-8-6-14(20)7-9-19/h2-5,14,20H,6-12H2,1H3
InChIKeySCEBQVDYYOKBPD-UHFFFAOYSA-N
XLogP1.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507226
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62112405
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 11971594
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (CID 29235706) is N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(O)CC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is SCEBQVDYYOKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-18(10-11-22-15-4-2-13(17)3-5-15)16(21)12-19-8-6-14(20)7-9-19/h2-5,14,20H,6-12H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 371.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 29235706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).