N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide

C26H24N2O4 — CID 45172863

IUPACN-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
SMILESCc1cc2cc(C(=O)N3CCCC(C(=O)Nc4ccc(-c5ccco5)cc4)C3)ccc2o1
InChIInChI=1S/C26H24N2O4/c1-17-14-21-15-19(8-11-24(21)32-17)26(30)28-12-2-4-20(16-28)25(29)27-22-9-6-18(7-10-22)23-5-3-13-31-23/h3,5-11,13-15,20H,2,4,12,16H2,1H3,(H,27,29)
InChIKeyICLOOEVLGWIMSW-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.49
Rot. Bonds4

About N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide

N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide (PubChem CID 45172863) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
PubChem CID45172863
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
SMILESCc1cc2cc(C(=O)N3CCCC(C(=O)Nc4ccc(-c5ccco5)cc4)C3)ccc2o1
InChIInChI=1S/C26H24N2O4/c1-17-14-21-15-19(8-11-24(21)32-17)26(30)28-12-2-4-20(16-28)25(29)27-22-9-6-18(7-10-22)23-5-3-13-31-23/h3,5-11,13-15,20H,2,4,12,16H2,1H3,(H,27,29)
InChIKeyICLOOEVLGWIMSW-UHFFFAOYSA-N
XLogP5.49
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 51903477
[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25275365
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 47027078
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 46490620
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
CID 42191121
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide (CID 45172863) is N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide is Cc1cc2cc(C(=O)N3CCCC(C(=O)Nc4ccc(-c5ccco5)cc4)C3)ccc2o1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is ICLOOEVLGWIMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-14-21-15-19(8-11-24(21)32-17)26(30)28-12-2-4-20(16-28)25(29)27-22-9-6-18(7-10-22)23-5-3-13-31-23/h3,5-11,13-15,20H,2,4,12,16H2,1H3,(H,27,29).
What are the key properties of N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide?
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45172863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).