1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one

C23H32N2O — CID 11314167

IUPAC1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1CCC(N3C(=O)Cc4ccccc43)CC1)C2
InChIInChI=1S/C23H32N2O/c1-22(2)17-8-11-23(22,3)20(15-17)24-12-9-18(10-13-24)25-19-7-5-4-6-16(19)14-21(25)26/h4-7,17-18,20H,8-15H2,1-3H3/t17-,20+,23+/m1/s1
InChIKeyOIFHBVJRUVSSEO-MONBJTKQSA-N
MW352.52 g/mol
LogP4.25
Rot. Bonds2

About 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one

1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 11314167) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID11314167
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1CCC(N3C(=O)Cc4ccccc43)CC1)C2
InChIInChI=1S/C23H32N2O/c1-22(2)17-8-11-23(22,3)20(15-17)24-12-9-18(10-13-24)25-19-7-5-4-6-16(19)14-21(25)26/h4-7,17-18,20H,8-15H2,1-3H3/t17-,20+,23+/m1/s1
InChIKeyOIFHBVJRUVSSEO-MONBJTKQSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one (CID 11314167) is 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1CCC(N3C(=O)Cc4ccccc43)CC1)C2.
What is the InChIKey of 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is OIFHBVJRUVSSEO-MONBJTKQSA-N. The full InChI is InChI=1S/C23H32N2O/c1-22(2)17-8-11-23(22,3)20(15-17)24-12-9-18(10-13-24)25-19-7-5-4-6-16(19)14-21(25)26/h4-7,17-18,20H,8-15H2,1-3H3/t17-,20+,23+/m1/s1.
What are the key properties of 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 352.52 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).