N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

C18H17Cl2N3O4 — CID 46520147

IUPACN'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c19-12-5-6-14(20)13(9-12)17(25)22-21-16(24)11-3-1-7-23(10-11)18(26)15-4-2-8-27-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,24)(H,22,25)
InChIKeyYZWPLLFGYAXUSH-UHFFFAOYSA-N
MW410.26 g/mol
LogP2.90
Rot. Bonds3

About N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 46520147) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID46520147
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC NameN'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c19-12-5-6-14(20)13(9-12)17(25)22-21-16(24)11-3-1-7-23(10-11)18(26)15-4-2-8-27-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,24)(H,22,25)
InChIKeyYZWPLLFGYAXUSH-UHFFFAOYSA-N
XLogP2.90
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.90
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-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46515850
(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35824611
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (CID 46520147) is N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is YZWPLLFGYAXUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c19-12-5-6-14(20)13(9-12)17(25)22-21-16(24)11-3-1-7-23(10-11)18(26)15-4-2-8-27-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 410.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46520147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).