4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide

C18H19BrN2O3 — CID 90521806

IUPAC4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3/c19-16-3-1-14(2-4-16)17(22)20-11-13-5-8-21(9-6-13)18(23)15-7-10-24-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22)
InChIKeyJZKRLNVGGXPXPG-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide

4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 90521806) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID90521806
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3/c19-16-3-1-14(2-4-16)17(22)20-11-13-5-8-21(9-6-13)18(23)15-7-10-24-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22)
InChIKeyJZKRLNVGGXPXPG-UHFFFAOYSA-N
XLogP3.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
tert-butyl 3-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 78047404
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131908186
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 90521938
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide (CID 90521806) is 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is JZKRLNVGGXPXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-16-3-1-14(2-4-16)17(22)20-11-13-5-8-21(9-6-13)18(23)15-7-10-24-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22).
What are the key properties of 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide?
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 90521806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).