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

C18H18BrFN2O3 — CID 55593776

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18BrFN2O3/c19-14-3-4-15(20)13(10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23)
InChIKeyZMYMCFJKYUZYPM-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.35
Rot. Bonds4

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

N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55593776) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID55593776
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18BrFN2O3/c19-14-3-4-15(20)13(10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23)
InChIKeyZMYMCFJKYUZYPM-UHFFFAOYSA-N
XLogP3.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
1-(furan-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 32625582
N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108946239
(4-bromo-2-chlorophenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 16564103
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 55593776) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1cc(Br)ccc1F)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZMYMCFJKYUZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c19-14-3-4-15(20)13(10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 409.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).