3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C23H31N3O2 — CID 120988636

IUPAC3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C3C(=O)Nc4ccccc43)CC1)C2
InChIInChI=1S/C23H31N3O2/c24-21-15-4-3-5-16(21)13-17(12-15)23(28)26-10-8-14(9-11-26)20-18-6-1-2-7-19(18)25-22(20)27/h1-2,6-7,14-17,20-21H,3-5,8-13,24H2,(H,25,27)
InChIKeyFDWHHWPWEHQCHA-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.11
Rot. Bonds2

About 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 120988636) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID120988636
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C3C(=O)Nc4ccccc43)CC1)C2
InChIInChI=1S/C23H31N3O2/c24-21-15-4-3-5-16(21)13-17(12-15)23(28)26-10-8-14(9-11-26)20-18-6-1-2-7-19(18)25-22(20)27/h1-2,6-7,14-17,20-21H,3-5,8-13,24H2,(H,25,27)
InChIKeyFDWHHWPWEHQCHA-UHFFFAOYSA-N
XLogP3.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 120988636) is 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is NC1C2CCCC1CC(C(=O)N1CCC(C3C(=O)Nc4ccccc43)CC1)C2.
What is the InChIKey of 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is FDWHHWPWEHQCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c24-21-15-4-3-5-16(21)13-17(12-15)23(28)26-10-8-14(9-11-26)20-18-6-1-2-7-19(18)25-22(20)27/h1-2,6-7,14-17,20-21H,3-5,8-13,24H2,(H,25,27).
What are the key properties of 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 381.52 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 120988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).