6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one

C96H120N14O14 — CID 167583770

IUPAC6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one
SMILESCC1(C)CC(c2ccc3[nH]c(=O)oc3c2)CCN1.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.O=c1[nH]c2ccc(C3CCCCC3)cc2o1.O=c1[nH]c2ccc(C3CCNCC3)cc2o1
InChIInChI=1S/C18H25N3O2.C14H18N2O2.3C13H16N2O2.C13H15NO2.C12H14N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-14(2)8-10(5-6-15-14)9-3-4-11-12(7-9)18-13(17)16-11;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-2-1-9(7-11(10)16-12)8-3-5-13-6-4-8/h2-3,12-13,15,19H,4-11H2,1H3;3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17);2*2-3,8-9,14H,4-7H2,1H3;2-4,9,14H,5-8H2,1H3;6-9H,1-5H2,(H,14,15);1-2,7-8,13H,3-6H2,(H,14,15)
InChIKeyHNEHJRDVBIOPDK-UHFFFAOYSA-N
MW1694.10 g/mol
LogP14.25
Rot. Bonds8

About 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one

6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one (PubChem CID 167583770) has the molecular formula C96H120N14O14 and a molecular weight of 1694.10 g/mol. Its IUPAC name is 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one
PubChem CID167583770
Molecular FormulaC96H120N14O14
Molecular Weight1694.10 g/mol
Exact Mass1692.91
IUPAC Name6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one
SMILESCC1(C)CC(c2ccc3[nH]c(=O)oc3c2)CCN1.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.O=c1[nH]c2ccc(C3CCCCC3)cc2o1.O=c1[nH]c2ccc(C3CCNCC3)cc2o1
InChIInChI=1S/C18H25N3O2.C14H18N2O2.3C13H16N2O2.C13H15NO2.C12H14N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-14(2)8-10(5-6-15-14)9-3-4-11-12(7-9)18-13(17)16-11;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-2-1-9(7-11(10)16-12)8-3-5-13-6-4-8/h2-3,12-13,15,19H,4-11H2,1H3;3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17);2*2-3,8-9,14H,4-7H2,1H3;2-4,9,14H,5-8H2,1H3;6-9H,1-5H2,(H,14,15);1-2,7-8,13H,3-6H2,(H,14,15)
InChIKeyHNEHJRDVBIOPDK-UHFFFAOYSA-N
XLogP14.25
TPSA353.98 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms124
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001694.10
LogP ≤ 514.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one (CID 167583770) is 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one is CC1(C)CC(c2ccc3[nH]c(=O)oc3c2)CCN1.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.O=c1[nH]c2ccc(C3CCCCC3)cc2o1.O=c1[nH]c2ccc(C3CCNCC3)cc2o1.
What is the InChIKey of 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is HNEHJRDVBIOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.C14H18N2O2.3C13H16N2O2.C13H15NO2.C12H14N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-14(2)8-10(5-6-15-14)9-3-4-11-12(7-9)18-13(17)16-11;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-2-1-9(7-11(10)16-12)8-3-5-13-6-4-8/h2-3,12-13,15,19H,4-11H2,1H3;3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,17);2*2-3,8-9,14H,4-7H2,1H3;2-4,9,14H,5-8H2,1H3;6-9H,1-5H2,(H,14,15);1-2,7-8,13H,3-6H2,(H,14,15).
What are the key properties of 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one?
6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 1694.10 g/mol, XLogP of 14.25, 8 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3H-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3H-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one;6-piperidin-4-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167583770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).