1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one

C22H32N2O — CID 10042904

IUPAC1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3
InChIKeyKZQZXGOXGSLNTB-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.25
Rot. Bonds3

About 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 10042904) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID10042904
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3
InChIKeyKZQZXGOXGSLNTB-UHFFFAOYSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (CID 10042904) is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is KZQZXGOXGSLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 10042904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).