1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide

C24H33F2N3O3 — CID 56568849

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1
InChIInChI=1S/C24H33F2N3O3/c1-17(2)9-13-28-14-10-19(11-15-28)27-22(30)18-6-5-12-29(16-18)23(31)20-7-3-4-8-21(20)32-24(25)26/h3-4,7-9,18-19,24H,5-6,10-16H2,1-2H3,(H,27,30)
InChIKeyBHLJHWWTHXAAGF-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.69
Rot. Bonds7

About 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56568849) has the molecular formula C24H33F2N3O3 and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56568849
Molecular FormulaC24H33F2N3O3
Molecular Weight449.54 g/mol
Exact Mass449.25
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1
InChIInChI=1S/C24H33F2N3O3/c1-17(2)9-13-28-14-10-19(11-15-28)27-22(30)18-6-5-12-29(16-18)23(31)20-7-3-4-8-21(20)32-24(25)26/h3-4,7-9,18-19,24H,5-6,10-16H2,1-2H3,(H,27,30)
InChIKeyBHLJHWWTHXAAGF-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-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

N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56568849) is 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide is CC(C)=CCN1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is BHLJHWWTHXAAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O3/c1-17(2)9-13-28-14-10-19(11-15-28)27-22(30)18-6-5-12-29(16-18)23(31)20-7-3-4-8-21(20)32-24(25)26/h3-4,7-9,18-19,24H,5-6,10-16H2,1-2H3,(H,27,30).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56568849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).