N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide

C15H21BrN2O2 — CID 62343376

IUPACN-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
SMILESO=C(COCCC1CCCCN1)Nc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c16-12-4-3-6-14(10-12)18-15(19)11-20-9-7-13-5-1-2-8-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2,(H,18,19)
InChIKeyIUBBDYPBIQIVTB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.94
Rot. Bonds6

About N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide

N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide (PubChem CID 62343376) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
PubChem CID62343376
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
SMILESO=C(COCCC1CCCCN1)Nc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c16-12-4-3-6-14(10-12)18-15(19)11-20-9-7-13-5-1-2-8-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2,(H,18,19)
InChIKeyIUBBDYPBIQIVTB-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
CID 62343782
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-methylphenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273632
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide (CID 62343376) is N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide is O=C(COCCC1CCCCN1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide?
The InChIKey is IUBBDYPBIQIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-12-4-3-6-14(10-12)18-15(19)11-20-9-7-13-5-1-2-8-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide?
N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide is sourced from PubChem (CID 62343376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).