5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C23H28BrN3O4 — CID 55963377

IUPAC5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H28BrN3O4/c1-25(23(29)20-6-7-21(24)31-20)19-5-3-2-4-18(19)22(28)27-10-8-17(9-11-27)16-26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3
InChIKeyLRJGGBFXSSICOQ-UHFFFAOYSA-N
MW490.40 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55963377) has the molecular formula C23H28BrN3O4 and a molecular weight of 490.40 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55963377
Molecular FormulaC23H28BrN3O4
Molecular Weight490.40 g/mol
Exact Mass489.13
IUPAC Name5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H28BrN3O4/c1-25(23(29)20-6-7-21(24)31-20)19-5-3-2-4-18(19)22(28)27-10-8-17(9-11-27)16-26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3
InChIKeyLRJGGBFXSSICOQ-UHFFFAOYSA-N
XLogP3.50
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55963377) is 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is LRJGGBFXSSICOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O4/c1-25(23(29)20-6-7-21(24)31-20)19-5-3-2-4-18(19)22(28)27-10-8-17(9-11-27)16-26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 490.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).