N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide

C15H21BrN2O2 — CID 62210447

IUPACN-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H21BrN2O2/c1-20-14-4-3-12(16)10-13(14)18-15(19)5-2-11-6-8-17-9-7-11/h3-4,10-11,17H,2,5-9H2,1H3,(H,18,19)
InChIKeyZAZUHBUESVTIHS-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.18
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide

N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62210447) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
PubChem CID62210447
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H21BrN2O2/c1-20-14-4-3-12(16)10-13(14)18-15(19)5-2-11-6-8-17-9-7-11/h3-4,10-11,17H,2,5-9H2,1H3,(H,18,19)
InChIKeyZAZUHBUESVTIHS-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62211576
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide (CID 62210447) is N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide is COc1ccc(Br)cc1NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is ZAZUHBUESVTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-20-14-4-3-12(16)10-13(14)18-15(19)5-2-11-6-8-17-9-7-11/h3-4,10-11,17H,2,5-9H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide?
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).