N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

C21H23FN2O2 — CID 10043707

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)
InChIKeyPFTMYQJEHXGQGU-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 10043707) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
PubChem CID10043707
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)
InChIKeyPFTMYQJEHXGQGU-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (CID 10043707) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is PFTMYQJEHXGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26).
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10043707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).