5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

C21H26BrN3O3 — CID 175010773

IUPAC5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(CC2CNCCO2)ccc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C21H26BrN3O3/c22-20-7-6-19(28-20)21(26)24-17-13-15(12-16-14-23-8-11-27-16)4-5-18(17)25-9-2-1-3-10-25/h4-7,13,16,23H,1-3,8-12,14H2,(H,24,26)
InChIKeyWMRSUUBAXFWRLF-UHFFFAOYSA-N
MW448.36 g/mol
LogP3.82
Rot. Bonds5

About 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 175010773) has the molecular formula C21H26BrN3O3 and a molecular weight of 448.36 g/mol. Its IUPAC name is 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID175010773
Molecular FormulaC21H26BrN3O3
Molecular Weight448.36 g/mol
Exact Mass447.12
IUPAC Name5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(CC2CNCCO2)ccc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C21H26BrN3O3/c22-20-7-6-19(28-20)21(26)24-17-13-15(12-16-14-23-8-11-27-16)4-5-18(17)25-9-2-1-3-10-25/h4-7,13,16,23H,1-3,8-12,14H2,(H,24,26)
InChIKeyWMRSUUBAXFWRLF-UHFFFAOYSA-N
XLogP3.82
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 175010773) is 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is O=C(Nc1cc(CC2CNCCO2)ccc1N1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is WMRSUUBAXFWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3/c22-20-7-6-19(28-20)21(26)24-17-13-15(12-16-14-23-8-11-27-16)4-5-18(17)25-9-2-1-3-10-25/h4-7,13,16,23H,1-3,8-12,14H2,(H,24,26).
What are the key properties of 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 448.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 175010773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).