2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

C24H27N5O2 — CID 86959656

IUPAC2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCOc1cncc(N2CCN(C(C)C(=O)Nc3ccccc3-c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c1-18(28-12-14-29(15-13-28)22-16-25-17-23(27-22)31-2)24(30)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30)
InChIKeyXIUMIEMDZXVUQQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 86959656) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID86959656
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCOc1cncc(N2CCN(C(C)C(=O)Nc3ccccc3-c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c1-18(28-12-14-29(15-13-28)22-16-25-17-23(27-22)31-2)24(30)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30)
InChIKeyXIUMIEMDZXVUQQ-UHFFFAOYSA-N
XLogP3.30
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959706
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 16618444
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
(3S,4S)-4-methyl-1-[1-oxo-1-(2-phenylanilino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120956
2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 86958960
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (CID 86959656) is 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is COc1cncc(N2CCN(C(C)C(=O)Nc3ccccc3-c3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is XIUMIEMDZXVUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18(28-12-14-29(15-13-28)22-16-25-17-23(27-22)31-2)24(30)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 86959656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).