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

C22H32N2O2 — CID 42599068

IUPAC1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O2/c1-16-4-5-17-15-21(25)24(20(17)14-16)18-8-12-23(13-9-18)22(2)10-6-19(26-3)7-11-22/h4-5,14,18-19H,6-13,15H2,1-3H3
InChIKeyZCMNJNNUKNOUAH-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.70
Rot. Bonds3

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

1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one (PubChem CID 42599068) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
PubChem CID42599068
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C22H32N2O2/c1-16-4-5-17-15-21(25)24(20(17)14-16)18-8-12-23(13-9-18)22(2)10-6-19(26-3)7-11-22/h4-5,14,18-19H,6-13,15H2,1-3H3
InChIKeyZCMNJNNUKNOUAH-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The IUPAC name of 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one (CID 42599068) is 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The canonical SMILES for 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one is COC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
The InChIKey is ZCMNJNNUKNOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16-4-5-17-15-21(25)24(20(17)14-16)18-8-12-23(13-9-18)22(2)10-6-19(26-3)7-11-22/h4-5,14,18-19H,6-13,15H2,1-3H3.
What are the key properties of 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one?
1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one is sourced from PubChem (CID 42599068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).