5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide

C18H24BrN3O4 — CID 108551725

IUPAC5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1=O
InChIInChI=1S/C18H24BrN3O4/c1-11(2)22-10-12(9-16(22)23)18(25)21-7-5-13(6-8-21)20-17(24)14-3-4-15(19)26-14/h3-4,11-13H,5-10H2,1-2H3,(H,20,24)
InChIKeyBFPPPOGAULUMNX-UHFFFAOYSA-N
MW426.31 g/mol
LogP2.02
Rot. Bonds4

About 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide

5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 108551725) has the molecular formula C18H24BrN3O4 and a molecular weight of 426.31 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID108551725
Molecular FormulaC18H24BrN3O4
Molecular Weight426.31 g/mol
Exact Mass425.10
IUPAC Name5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1=O
InChIInChI=1S/C18H24BrN3O4/c1-11(2)22-10-12(9-16(22)23)18(25)21-7-5-13(6-8-21)20-17(24)14-3-4-15(19)26-14/h3-4,11-13H,5-10H2,1-2H3,(H,20,24)
InChIKeyBFPPPOGAULUMNX-UHFFFAOYSA-N
XLogP2.02
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108564916
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 108552371
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 95969243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (CID 108551725) is 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is CC(C)N1CC(C(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1=O.
What is the InChIKey of 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BFPPPOGAULUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O4/c1-11(2)22-10-12(9-16(22)23)18(25)21-7-5-13(6-8-21)20-17(24)14-3-4-15(19)26-14/h3-4,11-13H,5-10H2,1-2H3,(H,20,24).
What are the key properties of 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108551725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).