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

C15H15BrN2O4 — CID 38198333

IUPAC5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O4/c16-13-2-1-12(22-13)14(19)17-11-3-6-18(7-4-11)15(20)10-5-8-21-9-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,17,19)
InChIKeyBMBSOPHQVVSSTG-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.67
Rot. Bonds3

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

5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 38198333) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID38198333
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O4/c16-13-2-1-12(22-13)14(19)17-11-3-6-18(7-4-11)15(20)10-5-8-21-9-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,17,19)
InChIKeyBMBSOPHQVVSSTG-UHFFFAOYSA-N
XLogP2.67
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
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
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (CID 38198333) is 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BMBSOPHQVVSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-13-2-1-12(22-13)14(19)17-11-3-6-18(7-4-11)15(20)10-5-8-21-9-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,17,19).
What are the key properties of 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 38198333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).