1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C21H28N2O4 — CID 131691312

IUPAC1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCC(C)NC(=O)C1OC2(CCN(C(=O)C3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C21H28N2O4/c1-14(2)22-19(24)18-16-5-3-4-6-17(16)21(27-18)8-10-23(11-9-21)20(25)15-7-12-26-13-15/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,24)
InChIKeyGVQDKEIVIJPHQL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.14
Rot. Bonds3

About 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131691312) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131691312
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCC(C)NC(=O)C1OC2(CCN(C(=O)C3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C21H28N2O4/c1-14(2)22-19(24)18-16-5-3-4-6-17(16)21(27-18)8-10-23(11-9-21)20(25)15-7-12-26-13-15/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,24)
InChIKeyGVQDKEIVIJPHQL-UHFFFAOYSA-N
XLogP2.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
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
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467627
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(oxolan-3-yl)methanone
CID 135104833
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(3R,4R)-4-(2-morpholin-4-ylpyrimidin-4-yl)-1-[(3S)-oxolane-3-carbonyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92580229
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131691312) is 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is CC(C)NC(=O)C1OC2(CCN(C(=O)C3CCOC3)CC2)c2ccccc21.
What is the InChIKey of 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is GVQDKEIVIJPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14(2)22-19(24)18-16-5-3-4-6-17(16)21(27-18)8-10-23(11-9-21)20(25)15-7-12-26-13-15/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,24).
What are the key properties of 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolane-3-carbonyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131691312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).