3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one

C24H36N2O — CID 52943541

IUPAC3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCCC(C)(C)C1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N2O/c1-4-24(2,3)18-9-11-19(12-10-18)26-15-13-17(14-16-26)22-20-7-5-6-8-21(20)25-23(22)27/h5-8,17-19,22H,4,9-16H2,1-3H3,(H,25,27)
InChIKeyOPRXBLIAOOZDAC-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.43
Rot. Bonds4

About 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 52943541) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID52943541
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCCC(C)(C)C1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N2O/c1-4-24(2,3)18-9-11-19(12-10-18)26-15-13-17(14-16-26)22-20-7-5-6-8-21(20)25-23(22)27/h5-8,17-19,22H,4,9-16H2,1-3H3,(H,25,27)
InChIKeyOPRXBLIAOOZDAC-UHFFFAOYSA-N
XLogP5.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one (CID 52943541) is 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one is CCC(C)(C)C1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is OPRXBLIAOOZDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-4-24(2,3)18-9-11-19(12-10-18)26-15-13-17(14-16-26)22-20-7-5-6-8-21(20)25-23(22)27/h5-8,17-19,22H,4,9-16H2,1-3H3,(H,25,27).
What are the key properties of 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 368.57 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 52943541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).