9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

C26H36N2O4 — CID 20916497

IUPAC9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C26H36N2O4/c1-18-22-20(31-24(18)25(30)27-13-8-16-28-14-6-3-7-15-28)9-10-21-23(22)19(29)17-26(32-21)11-4-2-5-12-26/h9-10,19,29H,2-8,11-17H2,1H3,(H,27,30)
InChIKeySJXUQMLDFYCBQK-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.87
Rot. Bonds5

About 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 20916497) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID20916497
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C26H36N2O4/c1-18-22-20(31-24(18)25(30)27-13-8-16-28-14-6-3-7-15-28)9-10-21-23(22)19(29)17-26(32-21)11-4-2-5-12-26/h9-10,19,29H,2-8,11-17H2,1H3,(H,27,30)
InChIKeySJXUQMLDFYCBQK-UHFFFAOYSA-N
XLogP4.87
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 20916497) is 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is Cc1c(C(=O)NCCCN2CCCCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3.
What is the InChIKey of 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is SJXUQMLDFYCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-18-22-20(31-24(18)25(30)27-13-8-16-28-14-6-3-7-15-28)9-10-21-23(22)19(29)17-26(32-21)11-4-2-5-12-26/h9-10,19,29H,2-8,11-17H2,1H3,(H,27,30).
What are the key properties of 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 440.58 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 20916497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).