(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

C20H25FN3O2+ — CID 9249280

IUPAC(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeySXNJNZHNXMHJFO-OAHLLOKOSA-O
MW358.44 g/mol
LogP1.57
Rot. Bonds5

About (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 9249280) has the molecular formula C20H25FN3O2+ and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID9249280
Molecular FormulaC20H25FN3O2+
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeySXNJNZHNXMHJFO-OAHLLOKOSA-O
XLogP1.57
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2552521
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
CID 9442654
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2100076
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9249294
(2R)-N-(tert-butylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249446
(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275850
(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430341
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004179
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
(2S)-N-(2,5-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432663

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide (CID 9249280) is (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide is COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is SXNJNZHNXMHJFO-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H24FN3O2/c1-15(20(25)22-17-7-5-6-16(21)14-17)23-10-12-24(13-11-23)18-8-3-4-9-19(18)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9249280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).