1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one

C23H34N2O2 — CID 42599070

IUPAC1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3
InChIKeyCSORRUCUIASAPJ-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.09
Rot. Bonds4

About 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one

1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one (PubChem CID 42599070) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
PubChem CID42599070
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3
InChIKeyCSORRUCUIASAPJ-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The IUPAC name of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one (CID 42599070) is 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The canonical SMILES for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one is CCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The InChIKey is CSORRUCUIASAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one has a molecular weight of 370.54 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one is sourced from PubChem (CID 42599070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).