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

C26H29N3O3 — CID 41123999

IUPAC(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-20(28-16-18-29(19-17-28)24-10-6-7-11-25(24)31-2)26(30)27-21-12-14-23(15-13-21)32-22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyQSYXXUMHYIMYAT-HXUWFJFHSA-N
MW431.54 g/mol
LogP4.64
Rot. Bonds7

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

(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide (PubChem CID 41123999) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
PubChem CID41123999
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-20(28-16-18-29(19-17-28)24-10-6-7-11-25(24)31-2)26(30)27-21-12-14-23(15-13-21)32-22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyQSYXXUMHYIMYAT-HXUWFJFHSA-N
XLogP4.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide (CID 41123999) is (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide is COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is QSYXXUMHYIMYAT-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-20(28-16-18-29(19-17-28)24-10-6-7-11-25(24)31-2)26(30)27-21-12-14-23(15-13-21)32-22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,27,30)/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide?
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 41123999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).