4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide

C19H21BrN2O5 — CID 38212968

IUPAC4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc(OC)c1Br
InChIInChI=1S/C19H21BrN2O5/c1-25-15-9-13(10-16(26-2)17(15)20)18(23)21-14-3-6-22(7-4-14)19(24)12-5-8-27-11-12/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,21,23)
InChIKeyHNVIHEFFKAEZDN-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.09
Rot. Bonds5

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

4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide (PubChem CID 38212968) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
PubChem CID38212968
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC Name4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc(OC)c1Br
InChIInChI=1S/C19H21BrN2O5/c1-25-15-9-13(10-16(26-2)17(15)20)18(23)21-14-3-6-22(7-4-14)19(24)12-5-8-27-11-12/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,21,23)
InChIKeyHNVIHEFFKAEZDN-UHFFFAOYSA-N
XLogP3.09
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
CID 31398496
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46540408
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-cyclopropylfuran-3-carboxamide
CID 60698418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide (CID 38212968) is 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is HNVIHEFFKAEZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-25-15-9-13(10-16(26-2)17(15)20)18(23)21-14-3-6-22(7-4-14)19(24)12-5-8-27-11-12/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,21,23).
What are the key properties of 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 437.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 38212968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).