2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide

C23H29F2N3O2 — CID 112771065

IUPAC2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(F)cc1CN1CCN(C(C)C(=O)NC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29F2N3O2/c1-16(18-4-6-20(24)7-5-18)26-23(29)17(2)28-12-10-27(11-13-28)15-19-14-21(25)8-9-22(19)30-3/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,26,29)
InChIKeyKMXBRANSBYFKSR-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 112771065) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID112771065
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(F)cc1CN1CCN(C(C)C(=O)NC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29F2N3O2/c1-16(18-4-6-20(24)7-5-18)26-23(29)17(2)28-12-10-27(11-13-28)15-19-14-21(25)8-9-22(19)30-3/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,26,29)
InChIKeyKMXBRANSBYFKSR-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436296
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436462
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436470
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436374
1-[(2S)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972493
1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972500
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193
(2R)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 30721175
(2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 8971994
(2S)-N-ethyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 112771065) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide is COc1ccc(F)cc1CN1CCN(C(C)C(=O)NC(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is KMXBRANSBYFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-16(18-4-6-20(24)7-5-18)26-23(29)17(2)28-12-10-27(11-13-28)15-19-14-21(25)8-9-22(19)30-3/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 417.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 112771065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).