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

C21H25F2N3O2 — CID 9436194

IUPAC2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O2/c1-28-20-7-6-19(23)12-17(20)14-25-8-10-26(11-9-25)15-21(27)24-13-16-2-4-18(22)5-3-16/h2-7,12H,8-11,13-15H2,1H3,(H,24,27)
InChIKeyHKFBGPSMDKIXSU-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.41
Rot. Bonds7

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

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9436194) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9436194
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O2/c1-28-20-7-6-19(23)12-17(20)14-25-8-10-26(11-9-25)15-21(27)24-13-16-2-4-18(22)5-3-16/h2-7,12H,8-11,13-15H2,1H3,(H,24,27)
InChIKeyHKFBGPSMDKIXSU-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
(2S)-N-ethyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8972470
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8997331
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436434
methyl 5-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 9436318

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 9436194) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(F)cc1CN1CCN(CC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HKFBGPSMDKIXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-28-20-7-6-19(23)12-17(20)14-25-8-10-26(11-9-25)15-21(27)24-13-16-2-4-18(22)5-3-16/h2-7,12H,8-11,13-15H2,1H3,(H,24,27).
What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.41, 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9436194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).