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

C21H25BrN2O4 — CID 108551728

IUPAC5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C21H25BrN2O4/c1-2-3-15-4-6-17(7-5-15)27-14-20(25)24-12-10-16(11-13-24)23-21(26)18-8-9-19(22)28-18/h4-9,16H,2-3,10-14H2,1H3,(H,23,26)
InChIKeyGAKYGGDOXMVULW-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.79
Rot. Bonds7

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

5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 108551728) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID108551728
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C21H25BrN2O4/c1-2-3-15-4-6-17(7-5-15)27-14-20(25)24-12-10-16(11-13-24)23-21(26)18-8-9-19(22)28-18/h4-9,16H,2-3,10-14H2,1H3,(H,23,26)
InChIKeyGAKYGGDOXMVULW-UHFFFAOYSA-N
XLogP3.79
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide (CID 108551728) is 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1.
What is the InChIKey of 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is GAKYGGDOXMVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-2-3-15-4-6-17(7-5-15)27-14-20(25)24-12-10-16(11-13-24)23-21(26)18-8-9-19(22)28-18/h4-9,16H,2-3,10-14H2,1H3,(H,23,26).
What are the key properties of 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 449.35 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108551728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).