3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide

C25H25N3O4 — CID 55634715

IUPAC3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-23(29)18-6-3-2-4-7-18)24(30)26-20-11-13-28(14-12-20)25(31)22-8-5-15-32-22/h2-10,15-16,20H,11-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyISWJFVZDNAQSSP-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.87
Rot. Bonds5

About 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide

3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide (PubChem CID 55634715) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
PubChem CID55634715
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-23(29)18-6-3-2-4-7-18)24(30)26-20-11-13-28(14-12-20)25(31)22-8-5-15-32-22/h2-10,15-16,20H,11-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyISWJFVZDNAQSSP-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

N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603
N-[5-[(1-acetylpiperidin-4-yl)carbamoyl]-2-[2-(2,4-dimethylanilino)ethylamino]phenyl]furan-2-carboxamide
CID 130372663
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide (CID 55634715) is 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The InChIKey is ISWJFVZDNAQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-9-10-19(16-21(17)27-23(29)18-6-3-2-4-7-18)24(30)26-20-11-13-28(14-12-20)25(31)22-8-5-15-32-22/h2-10,15-16,20H,11-14H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide 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 3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 55634715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).