N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

C18H18BrN3O4 — CID 46523711

IUPACN'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1Br
InChIInChI=1S/C18H18BrN3O4/c19-14-7-2-1-6-13(14)17(24)21-20-16(23)12-5-3-9-22(11-12)18(25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,20,23)(H,21,24)
InChIKeyKFAFXWBQXBVCFC-UHFFFAOYSA-N
MW420.26 g/mol
LogP2.36
Rot. Bonds3

About N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 46523711) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID46523711
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC NameN'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1Br
InChIInChI=1S/C18H18BrN3O4/c19-14-7-2-1-6-13(14)17(24)21-20-16(23)12-5-3-9-22(11-12)18(25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,20,23)(H,21,24)
InChIKeyKFAFXWBQXBVCFC-UHFFFAOYSA-N
XLogP2.36
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35824611
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 46104197
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (CID 46523711) is N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1Br.
What is the InChIKey of N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is KFAFXWBQXBVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c19-14-7-2-1-6-13(14)17(24)21-20-16(23)12-5-3-9-22(11-12)18(25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 420.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46523711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).