4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide

C20H25N3O3S — CID 3218759

IUPAC4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-25-17-7-5-15(6-8-17)19(24)22-16-9-11-23(12-10-16)20(27)21-14-18-4-3-13-26-18/h3-8,13,16H,2,9-12,14H2,1H3,(H,21,27)(H,22,24)
InChIKeyBOOYORXTIXMNBI-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.95
Rot. Bonds6

About 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide

4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide (PubChem CID 3218759) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide
PubChem CID3218759
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-25-17-7-5-15(6-8-17)19(24)22-16-9-11-23(12-10-16)20(27)21-14-18-4-3-13-26-18/h3-8,13,16H,2,9-12,14H2,1H3,(H,21,27)(H,22,24)
InChIKeyBOOYORXTIXMNBI-UHFFFAOYSA-N
XLogP2.95
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-(furan-2-ylmethyl)-4-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-1-carbothioamide
CID 23853960
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide (CID 3218759) is 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide?
The InChIKey is BOOYORXTIXMNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-25-17-7-5-15(6-8-17)19(24)22-16-9-11-23(12-10-16)20(27)21-14-18-4-3-13-26-18/h3-8,13,16H,2,9-12,14H2,1H3,(H,21,27)(H,22,24).
What are the key properties of 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide?
4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).