N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C26H30N3O+ — CID 4986317

IUPACN-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-20-10-9-11-21(2)24(20)27-26(30)25(22-12-5-3-6-13-22)29-18-16-28(17-19-29)23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,27,30)/p+1
InChIKeyJQIOULURPITADE-UHFFFAOYSA-O
MW400.55 g/mol
LogP3.39
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 4986317) has the molecular formula C26H30N3O+ and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID4986317
Molecular FormulaC26H30N3O+
Molecular Weight400.55 g/mol
Exact Mass400.24
IUPAC NameN-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-20-10-9-11-21(2)24(20)27-26(30)25(22-12-5-3-6-13-22)29-18-16-28(17-19-29)23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,27,30)/p+1
InChIKeyJQIOULURPITADE-UHFFFAOYSA-O
XLogP3.39
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2549165
(2S)-N-(3-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 8726382
(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 9027647
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
CID 6991525
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430413
(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275992
(2R)-N-(2,6-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493399
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 4986317) is N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is Cc1cccc(C)c1NC(=O)C(c1ccccc1)[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is JQIOULURPITADE-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29N3O/c1-20-10-9-11-21(2)24(20)27-26(30)25(22-12-5-3-6-13-22)29-18-16-28(17-19-29)23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,27,30)/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 4986317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).