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

C23H34N2O — CID 71624270

IUPAC3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3
InChIKeyUDIDJCCXFVDPEB-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.82
Rot. Bonds3

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

3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 71624270) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID71624270
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3
InChIKeyUDIDJCCXFVDPEB-UHFFFAOYSA-N
XLogP4.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (CID 71624270) is 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is CC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is UDIDJCCXFVDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 354.54 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 71624270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).