2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile

C20H17FN2O2 — CID 46906227

IUPAC2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2O2/c21-17-7-5-14(6-8-17)19(24)15-9-11-23(12-10-15)20(25)18-4-2-1-3-16(18)13-22/h1-8,15H,9-12H2
InChIKeyPAXROASBZHVQDR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.43
Rot. Bonds3

About 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile

2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile (PubChem CID 46906227) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile
PubChem CID46906227
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2O2/c21-17-7-5-14(6-8-17)19(24)15-9-11-23(12-10-15)20(25)18-4-2-1-3-16(18)13-22/h1-8,15H,9-12H2
InChIKeyPAXROASBZHVQDR-UHFFFAOYSA-N
XLogP3.43
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile (CID 46906227) is 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile is N#Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile?
The InChIKey is PAXROASBZHVQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-17-7-5-14(6-8-17)19(24)15-9-11-23(12-10-15)20(25)18-4-2-1-3-16(18)13-22/h1-8,15H,9-12H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile?
2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile has a molecular weight of 336.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 46906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).