2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one

C25H25FN2O2 — CID 10069784

IUPAC2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
InChIKeyOZMFVKDFRHXPOM-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.65
Rot. Bonds4

About 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one

2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 10069784) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID10069784
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
InChIKeyOZMFVKDFRHXPOM-UHFFFAOYSA-N
XLogP4.65
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one (CID 10069784) is 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one is O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21.
What is the InChIKey of 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is OZMFVKDFRHXPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2.
What are the key properties of 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 404.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 10069784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).