5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide

C18H19BrN2O3 — CID 108551717

IUPAC5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C18H19BrN2O3/c19-16-7-6-15(24-16)18(23)20-14-8-10-21(11-9-14)17(22)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,23)
InChIKeyKWZSBPYCGISBSR-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide

5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 108551717) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID108551717
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C18H19BrN2O3/c19-16-7-6-15(24-16)18(23)20-14-8-10-21(11-9-14)17(22)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,23)
InChIKeyKWZSBPYCGISBSR-UHFFFAOYSA-N
XLogP3.01
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide (CID 108551717) is 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is KWZSBPYCGISBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-16-7-6-15(24-16)18(23)20-14-8-10-21(11-9-14)17(22)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,23).
What are the key properties of 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108551717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).