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

C26H22N2O5 — CID 42566489

IUPACN-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C26H22N2O5/c29-21-16-24(33-23-8-2-1-7-20(21)23)26(31)28-12-10-17(11-13-28)25(30)27-19-6-3-5-18(15-19)22-9-4-14-32-22/h1-9,14-17H,10-13H2,(H,27,30)
InChIKeyISAQWPYDWWXCDX-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.54
Rot. Bonds4

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

N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 42566489) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide
PubChem CID42566489
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC NameN-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C26H22N2O5/c29-21-16-24(33-23-8-2-1-7-20(21)23)26(31)28-12-10-17(11-13-28)25(30)27-19-6-3-5-18(15-19)22-9-4-14-32-22/h1-9,14-17H,10-13H2,(H,27,30)
InChIKeyISAQWPYDWWXCDX-UHFFFAOYSA-N
XLogP4.54
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 26279470
N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide
CID 72882868
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 26324213
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
CID 45177020
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide (CID 42566489) is N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ISAQWPYDWWXCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c29-21-16-24(33-23-8-2-1-7-20(21)23)26(31)28-12-10-17(11-13-28)25(30)27-19-6-3-5-18(15-19)22-9-4-14-32-22/h1-9,14-17H,10-13H2,(H,27,30).
What are the key properties of N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide?
N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).