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

C24H36N2O2 — CID 42598591

IUPAC6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3
InChIKeyQSURXDMYUKWSGE-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.48
Rot. Bonds5

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

6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 42598591) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID42598591
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3
InChIKeyQSURXDMYUKWSGE-UHFFFAOYSA-N
XLogP4.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one (CID 42598591) is 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one is CCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1.
What is the InChIKey of 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is QSURXDMYUKWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3.
What are the key properties of 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one?
6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 384.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 42598591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).