1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C20H22N2O4 — CID 118739576

IUPAC1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1OC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-21(2)19(24)17-15-5-3-4-6-16(15)20(26-17)8-10-22(11-9-20)18(23)14-7-12-25-13-14/h3-7,12-13,17H,8-11H2,1-2H3
InChIKeyRJJDXUQGMXFUNA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.57
Rot. Bonds2

About 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 118739576) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID118739576
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1OC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-21(2)19(24)17-15-5-3-4-6-16(15)20(26-17)8-10-22(11-9-20)18(23)14-7-12-25-13-14/h3-7,12-13,17H,8-11H2,1-2H3
InChIKeyRJJDXUQGMXFUNA-UHFFFAOYSA-N
XLogP2.57
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,1-N',1-N'-tetramethylspiro[1H-2-benzofuran-3,4'-piperidine]-1,1'-dicarboxamide
CID 118739574
N,N-dimethyl-1'-(1-methyl-1,2,4-triazole-3-carbonyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680042
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680767
N,N-dimethyl-1'-[(1-methylimidazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 134075955
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131660230
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55670626
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 91666200
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
N,N-diethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193661
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274

Frequently Asked Questions

What is the IUPAC name of 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 118739576) is 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1OC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is RJJDXUQGMXFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-21(2)19(24)17-15-5-3-4-6-16(15)20(26-17)8-10-22(11-9-20)18(23)14-7-12-25-13-14/h3-7,12-13,17H,8-11H2,1-2H3.
What are the key properties of 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 118739576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).