1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

C22H21N3O5 — CID 55567441

IUPAC1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1)c1ccco1
InChIInChI=1S/C22H21N3O5/c26-20(15-7-10-25(11-8-15)22(28)16-9-13-29-14-16)23-17-3-5-18(6-4-17)24-21(27)19-2-1-12-30-19/h1-6,9,12-15H,7-8,10-11H2,(H,23,26)(H,24,27)
InChIKeyREZROLUAYQTFLH-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.62
Rot. Bonds5

About 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55567441) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID55567441
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1)c1ccco1
InChIInChI=1S/C22H21N3O5/c26-20(15-7-10-25(11-8-15)22(28)16-9-13-29-14-16)23-17-3-5-18(6-4-17)24-21(27)19-2-1-12-30-19/h1-6,9,12-15H,7-8,10-11H2,(H,23,26)(H,24,27)
InChIKeyREZROLUAYQTFLH-UHFFFAOYSA-N
XLogP3.62
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 55567441) is 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1)c1ccco1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is REZROLUAYQTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c26-20(15-7-10-25(11-8-15)22(28)16-9-13-29-14-16)23-17-3-5-18(6-4-17)24-21(27)19-2-1-12-30-19/h1-6,9,12-15H,7-8,10-11H2,(H,23,26)(H,24,27).
What are the key properties of 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55567441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).