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

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

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Related Compounds

1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 42599070
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
1-{1-[1-(4-Cyclohexyl-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-indol-2-one
CID 11327115
1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 42599068
1-[1-(4-propylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 71624265
3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 71624270
N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772611
N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 19772655
1-methyl-1'-(tetrahydro-2H-pyran-4-carbonyl)spiro[indoline-3,4'-piperidin]-2-one
CID 91914380
ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate
CID 15549206
ethyl 2-[1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate
CID 91077121

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).