N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide

C25H25N3O4 — CID 37019545

IUPACN-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-24(30)22-8-5-15-32-22)25(31)28-13-11-20(12-14-28)26-23(29)18-6-3-2-4-7-18/h2-10,15-16,20H,11-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyDBAYPATVWMYKOG-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.87
Rot. Bonds5

About N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide

N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 37019545) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID37019545
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-24(30)22-8-5-15-32-22)25(31)28-13-11-20(12-14-28)26-23(29)18-6-3-2-4-7-18/h2-10,15-16,20H,11-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyDBAYPATVWMYKOG-UHFFFAOYSA-N
XLogP3.87
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
N-[5-[(1-acetylpiperidin-4-yl)carbamoyl]-2-[2-(2,4-dimethylanilino)ethylamino]phenyl]furan-2-carboxamide
CID 130372663
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41409796
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide (CID 37019545) is N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DBAYPATVWMYKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-24(30)22-8-5-15-32-22)25(31)28-13-11-20(12-14-28)26-23(29)18-6-3-2-4-7-18/h2-10,15-16,20H,11-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 37019545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).