[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone

C20H25FN2O — CID 57392496

IUPAC[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCc2c1c1ccccc1n2CC[18F])N1CCCCC1
InChIInChI=1S/C20H25FN2O/c21-11-14-23-17-9-3-2-7-15(17)19-16(8-6-10-18(19)23)20(24)22-12-4-1-5-13-22/h2-3,7,9,16H,1,4-6,8,10-14H2/i21-1
InChIKeyMCKAREGHLPTICA-GJQNQZCXSA-N
MW327.43 g/mol
LogP4.04
Rot. Bonds3

About [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone

[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 57392496) has the molecular formula C20H25FN2O and a molecular weight of 327.43 g/mol. Its IUPAC name is [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
PubChem CID57392496
Molecular FormulaC20H25FN2O
Molecular Weight327.43 g/mol
Exact Mass327.20
IUPAC Name[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCc2c1c1ccccc1n2CC[18F])N1CCCCC1
InChIInChI=1S/C20H25FN2O/c21-11-14-23-17-9-3-2-7-15(17)19-16(8-6-10-18(19)23)20(24)22-12-4-1-5-13-22/h2-3,7,9,16H,1,4-6,8,10-14H2/i21-1
InChIKeyMCKAREGHLPTICA-GJQNQZCXSA-N
XLogP4.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone (CID 57392496) is [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone is O=C(C1CCCc2c1c1ccccc1n2CC[18F])N1CCCCC1.
What is the InChIKey of [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MCKAREGHLPTICA-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-11-14-23-17-9-3-2-7-15(17)19-16(8-6-10-18(19)23)20(24)22-12-4-1-5-13-22/h2-3,7,9,16H,1,4-6,8,10-14H2/i21-1.
What are the key properties of [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone?
[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 327.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 57392496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).