1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one

C23H32N2O — CID 11233481

IUPAC1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2
InChIInChI=1S/C23H32N2O/c1-23(2)18-8-7-17(20(23)14-18)15-24-11-9-19(10-12-24)25-21-6-4-3-5-16(21)13-22(25)26/h3-6,17-20H,7-15H2,1-2H3
InChIKeyVBVYMUJWPFCVLU-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.11
Rot. Bonds3

About 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one

1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 11233481) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID11233481
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2
InChIInChI=1S/C23H32N2O/c1-23(2)18-8-7-17(20(23)14-18)15-24-11-9-19(10-12-24)25-21-6-4-3-5-16(21)13-22(25)26/h3-6,17-20H,7-15H2,1-2H3
InChIKeyVBVYMUJWPFCVLU-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one (CID 11233481) is 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one is CC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2.
What is the InChIKey of 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is VBVYMUJWPFCVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-23(2)18-8-7-17(20(23)14-18)15-24-11-9-19(10-12-24)25-21-6-4-3-5-16(21)13-22(25)26/h3-6,17-20H,7-15H2,1-2H3.
What are the key properties of 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 352.52 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).