2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide

C24H32FN3O2 — CID 134563441

IUPAC2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
SMILESNC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccc(F)cc21
InChIInChI=1S/C24H32FN3O2/c25-17-7-8-21-19(13-17)20(14-22(26)29)24(30)28(21)18-9-11-27(12-10-18)23-15-3-1-4-16(23)6-2-5-15/h7-8,13,15-16,18,20,23H,1-6,9-12,14H2,(H2,26,29)
InChIKeyOUSOHRMDBJBTTG-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.56
Rot. Bonds4

About 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide

2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 134563441) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
PubChem CID134563441
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
SMILESNC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccc(F)cc21
InChIInChI=1S/C24H32FN3O2/c25-17-7-8-21-19(13-17)20(14-22(26)29)24(30)28(21)18-9-11-27(12-10-18)23-15-3-1-4-16(23)6-2-5-15/h7-8,13,15-16,18,20,23H,1-6,9-12,14H2,(H2,26,29)
InChIKeyOUSOHRMDBJBTTG-UHFFFAOYSA-N
XLogP3.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide
CID 134563453
5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 146842552
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143
2-[5-fluoro-2-oxo-1-[1-(4-propan-2-ylidenecyclohexyl)piperidin-4-yl]-3H-indol-3-yl]acetonitrile
CID 134563454
3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476
N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
CID 134578397
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorobenzaldehyde
CID 115560388
ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71724489
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
CID 178005107

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide (CID 134563441) is 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide is NC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccc(F)cc21.
What is the InChIKey of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is OUSOHRMDBJBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c25-17-7-8-21-19(13-17)20(14-22(26)29)24(30)28(21)18-9-11-27(12-10-18)23-15-3-1-4-16(23)6-2-5-15/h7-8,13,15-16,18,20,23H,1-6,9-12,14H2,(H2,26,29).
What are the key properties of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide?
2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 134563441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).