8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C26H29NO4 — CID 66834956

IUPAC8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OC[C@H](O)CN3CCCCC3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C26H29NO4/c1-26(2)21-14-18(30-16-17(28)15-27-12-6-3-7-13-27)10-11-19(21)24(29)23-20-8-4-5-9-22(20)31-25(23)26/h4-5,8-11,14,17,28H,3,6-7,12-13,15-16H2,1-2H3/t17-/m1/s1
InChIKeySQCIDIPXKNYBJH-QGZVFWFLSA-N
MW419.52 g/mol
LogP4.53
Rot. Bonds5

About 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66834956) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66834956
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OC[C@H](O)CN3CCCCC3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C26H29NO4/c1-26(2)21-14-18(30-16-17(28)15-27-12-6-3-7-13-27)10-11-19(21)24(29)23-20-8-4-5-9-22(20)31-25(23)26/h4-5,8-11,14,17,28H,3,6-7,12-13,15-16H2,1-2H3/t17-/m1/s1
InChIKeySQCIDIPXKNYBJH-QGZVFWFLSA-N
XLogP4.53
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one with MolForge

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Related Compounds

8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
3-bromo-8-(2,3-dihydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 77194267
8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835137
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
CID 167193500
2-[8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]oxy-N-phenylacetamide
CID 121231527
3-iodo-6,6-dimethyl-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 67150163
2,2-dimethyl-5-(2,3,4-trihydroxybutoxy)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),4,6,11(16),12,14-heptaen-9-one
CID 77194215
6,6-dimethyl-3-propan-2-yloxy-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 77194229
8-[(2S)-2-hydroxy-2-(hydroxymethoxy)ethoxy]-3-(3-hydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 167193030
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835125

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 66834956) is 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CC1(C)c2cc(OC[C@H](O)CN3CCCCC3)ccc2C(=O)c2c1oc1ccccc21.
What is the InChIKey of 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is SQCIDIPXKNYBJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H29NO4/c1-26(2)21-14-18(30-16-17(28)15-27-12-6-3-7-13-27)10-11-19(21)24(29)23-20-8-4-5-9-22(20)31-25(23)26/h4-5,8-11,14,17,28H,3,6-7,12-13,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 419.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66834956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).