ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate

C20H22N2O5 — CID 27555217

IUPACethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H22N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h3-8,13,15H,2,9-12H2,1H3,(H,21,23)
InChIKeyQHALPIGTRJOYMT-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.95
Rot. Bonds5

About ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate (PubChem CID 27555217) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
PubChem CID27555217
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H22N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h3-8,13,15H,2,9-12H2,1H3,(H,21,23)
InChIKeyQHALPIGTRJOYMT-UHFFFAOYSA-N
XLogP2.95
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
ethyl 1-[4-[(3-aminobenzoyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797292
ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
CID 119797301
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
ethyl 1-[4-[(3-aminocyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797282
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
methyl 1-[N-[[4-(furan-2-carbonylamino)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252266
ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperidine-4-carboxylate
CID 46740263

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate (CID 27555217) is ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The InChIKey is QHALPIGTRJOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h3-8,13,15H,2,9-12H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).