N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide

C14H18BrFN2O2 — CID 63875885

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O2/c15-11-1-2-13(16)10(7-11)8-18-14(19)9-20-12-3-5-17-6-4-12/h1-2,7,12,17H,3-6,8-9H2,(H,18,19)
InChIKeyMJFNCCXHCWVPJD-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.97
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide (PubChem CID 63875885) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide
PubChem CID63875885
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O2/c15-11-1-2-13(16)10(7-11)8-18-14(19)9-20-12-3-5-17-6-4-12/h1-2,7,12,17H,3-6,8-9H2,(H,18,19)
InChIKeyMJFNCCXHCWVPJD-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 115171561
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-(4-fluorophenyl)-2-piperidin-4-yloxyacetamide
CID 39062765
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
N-(4-fluoro-3-methoxyphenyl)-2-piperidin-4-yloxyacetamide
CID 114839705
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
N-hydroxy-2-piperidin-4-yloxyacetamide
CID 63990799
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103020675

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide (CID 63875885) is N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide is O=C(COC1CCNCC1)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide?
The InChIKey is MJFNCCXHCWVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-11-1-2-13(16)10(7-11)8-18-14(19)9-20-12-3-5-17-6-4-12/h1-2,7,12,17H,3-6,8-9H2,(H,18,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide has a molecular weight of 345.21 g/mol, XLogP of 1.97, 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-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63875885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).