2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

C21H26FN2O+ — CID 8810728

IUPAC2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1
InChIInChI=1S/C21H25FN2O/c22-20-11-5-4-8-17(20)14-21(25)23-15-18-9-2-3-10-19(18)16-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-16H2,(H,23,25)/p+1
InChIKeyFWJPHTJJOQWQNB-UHFFFAOYSA-O
MW341.45 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8810728) has the molecular formula C21H26FN2O+ and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID8810728
Molecular FormulaC21H26FN2O+
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1
InChIInChI=1S/C21H25FN2O/c22-20-11-5-4-8-17(20)14-21(25)23-15-18-9-2-3-10-19(18)16-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-16H2,(H,23,25)/p+1
InChIKeyFWJPHTJJOQWQNB-UHFFFAOYSA-O
XLogP2.25
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810686
1-[(2-fluorophenyl)methyl]azepan-1-ium
CID 7439813
1-[(2-fluorophenyl)methyl]azocan-1-ium
CID 7446378
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968889
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
1-(2-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea
CID 8500283
2-(4-methylphenyl)sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8969492
3-(benzenesulfonyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8969170
5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 9069255
5-bromo-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 9142749
2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143875

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide (CID 8810728) is 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is FWJPHTJJOQWQNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN2O/c22-20-11-5-4-8-17(20)14-21(25)23-15-18-9-2-3-10-19(18)16-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-16H2,(H,23,25)/p+1.
What are the key properties of 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8810728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).