3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one

C22H32N2O4 — CID 42598360

IUPAC3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one
SMILESCCOC1CCC(C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3
InChIKeyVBAJEBMVDLIJME-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.98
Rot. Bonds5

About 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one

3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one (PubChem CID 42598360) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one
PubChem CID42598360
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one
SMILESCCOC1CCC(C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3
InChIKeyVBAJEBMVDLIJME-UHFFFAOYSA-N
XLogP3.98
TPSA56.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-fluoro-5-methyl-1,3-benzoxazol-2-one
CID 42598358
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 25199525
3-[1-[4-(2-Methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]-2-oxo-1,3-benzoxazole-5-carbonitrile
CID 25207745
3-[1-[4-(2-Methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 25230693
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazole-5-carbonitrile
CID 42598357
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-fluoro-5-methyl-1,3-benzoxazol-2-one
CID 42598828
3-[1-(4-Methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 42598829
3-[3-(4-methoxyphenoxy)propyl]-5-methyl-1,3-benzoxazol-2(3H)-one
CID 4914411
3-(3-{[(4-Methoxyphenyl)methyl](methyl)amino}propyl)-2,3-dihydro-1,3-benzoxazol-2-one
CID 44249064
Methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
CID 44589471
3-[3-[N-(4-Methoxybenzyl)-N-methylamino]butyl]benzo[d]oxazol-2(3H)-one
CID 45268996
3-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137643814

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one (CID 42598360) is 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one is CCOC1CCC(C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1.
What is the InChIKey of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one?
The InChIKey is VBAJEBMVDLIJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3.
What are the key properties of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one?
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one has a molecular weight of 388.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one is sourced from PubChem (CID 42598360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).