N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C24H26N3O+ — CID 2653965

IUPACN-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H25N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,25,28)/p+1
InChIKeyKOKODDUAMNGMHD-UHFFFAOYSA-O
MW372.49 g/mol
LogP2.70
Rot. Bonds5

About N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 2653965) has the molecular formula C24H26N3O+ and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID2653965
Molecular FormulaC24H26N3O+
Molecular Weight372.49 g/mol
Exact Mass372.21
IUPAC NameN-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H25N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,25,28)/p+1
InChIKeyKOKODDUAMNGMHD-UHFFFAOYSA-O
XLogP2.70
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-4-ium-4-yl-N-(2-phenylphenyl)acetamide
CID 6951855
N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
N-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7738758
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2124469
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7349449

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 2653965) is N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is KOKODDUAMNGMHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,25,28)/p+1.
What are the key properties of N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2653965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).