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

C22H32N2O5 — CID 143779037

IUPAC5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCOCCOC1CCC(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O5/c1-26-13-14-28-18-5-3-16(4-6-18)23-11-9-17(10-12-23)24-20-15-19(27-2)7-8-21(20)29-22(24)25/h7-8,15-18H,3-6,9-14H2,1-2H3
InChIKeyHNIBMFHDWFUKMT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.21
Rot. Bonds7

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

5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 143779037) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID143779037
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCOCCOC1CCC(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O5/c1-26-13-14-28-18-5-3-16(4-6-18)23-11-9-17(10-12-23)24-20-15-19(27-2)7-8-21(20)29-22(24)25/h7-8,15-18H,3-6,9-14H2,1-2H3
InChIKeyHNIBMFHDWFUKMT-UHFFFAOYSA-N
XLogP3.21
TPSA66.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-(trifluoromethoxy)-1,3-benzoxazol-2-one
CID 42598831
3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-6-methoxy-1,3-benzoxazol-2-one
CID 59630099
3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82479715
3-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 42598829
methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
CID 46081496
3-[1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 95808233
3-[1-(2,2-dichloroacetyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 46081488
5-amino-3-cyclobutyl-1,3-benzoxazol-2-one
CID 165480478
3-[1-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 10201008
3-[1-[4-(1,1-dihydroxy-5-methoxy-3-oxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-6-methyl-1,3-benzoxazol-2-one
CID 67657426
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
CID 46081475

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one (CID 143779037) is 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one is COCCOC1CCC(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1.
What is the InChIKey of 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is HNIBMFHDWFUKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-26-13-14-28-18-5-3-16(4-6-18)23-11-9-17(10-12-23)24-20-15-19(27-2)7-8-21(20)29-22(24)25/h7-8,15-18H,3-6,9-14H2,1-2H3.
What are the key properties of 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 404.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-[4-(2-methoxyethoxy)cyclohexyl]piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 143779037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).