N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide

C22H26FN2O3+ — CID 7435772

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-4-17(5-9-20)22(27)18-10-12-25(13-11-18)15-21(26)24-14-16-2-6-19(23)7-3-16/h2-9,18H,10-15H2,1H3,(H,24,26)/p+1
InChIKeyVUYZECFNBPGWMZ-UHFFFAOYSA-O
MW385.46 g/mol
LogP1.63
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide (PubChem CID 7435772) has the molecular formula C22H26FN2O3+ and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
PubChem CID7435772
Molecular FormulaC22H26FN2O3+
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-4-17(5-9-20)22(27)18-10-12-25(13-11-18)15-21(26)24-14-16-2-6-19(23)7-3-16/h2-9,18H,10-15H2,1H3,(H,24,26)/p+1
InChIKeyVUYZECFNBPGWMZ-UHFFFAOYSA-O
XLogP1.63
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8904385
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
methyl 4-[[[2-(azepan-1-ium-1-yl)acetyl]amino]methyl]benzoate
CID 8896036
(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone
CID 7177655
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8832655
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
ethyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931583
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide (CID 7435772) is N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide is COc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is VUYZECFNBPGWMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25FN2O3/c1-28-20-8-4-17(5-9-20)22(27)18-10-12-25(13-11-18)15-21(26)24-14-16-2-6-19(23)7-3-16/h2-9,18H,10-15H2,1H3,(H,24,26)/p+1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7435772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).