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

C21H26FN3O2 — CID 32724400

IUPAC(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-8-9-18(17(22)14-15)23-21(26)16(2)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyNLJDBWQEOCLUHG-MRXNPFEDSA-N
MW371.46 g/mol
LogP3.29
Rot. Bonds5

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

(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 32724400) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID32724400
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-8-9-18(17(22)14-15)23-21(26)16(2)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyNLJDBWQEOCLUHG-MRXNPFEDSA-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

N-(4-bromo-2-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46631128
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 92984622
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 32724400) is (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1.
What is the InChIKey of (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is NLJDBWQEOCLUHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-8-9-18(17(22)14-15)23-21(26)16(2)24-10-12-25(13-11-24)19-6-4-5-7-20(19)27-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-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 (2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 32724400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).