N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

C21H26FN3O2 — CID 46561315

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(C(C)C(=O)Nc3ccc(C)c(F)c3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-15-7-8-17(13-20(15)22)23-21(26)16(2)24-9-11-25(12-10-24)18-5-4-6-19(14-18)27-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,26)
InChIKeyCKRTXZTZPPEJHV-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.29
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 46561315) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID46561315
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(C(C)C(=O)Nc3ccc(C)c(F)c3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-15-7-8-17(13-20(15)22)23-21(26)16(2)24-9-11-25(12-10-24)18-5-4-6-19(14-18)27-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,26)
InChIKeyCKRTXZTZPPEJHV-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (CID 46561315) is N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is COc1cccc(N2CCN(C(C)C(=O)Nc3ccc(C)c(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is CKRTXZTZPPEJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-7-8-17(13-20(15)22)23-21(26)16(2)24-9-11-25(12-10-24)18-5-4-6-19(14-18)27-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46561315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).