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

C22H30N3O+ — CID 6985943

IUPACN-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-21(26)17-24-13-15-25(16-14-24)20-11-6-5-7-12-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1
InChIKeyREIFLIHGHWNUAA-UHFFFAOYSA-O
MW352.50 g/mol
LogP2.15
Rot. Bonds6

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

N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 6985943) has the molecular formula C22H30N3O+ and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID6985943
Molecular FormulaC22H30N3O+
Molecular Weight352.50 g/mol
Exact Mass352.24
IUPAC NameN-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-21(26)17-24-13-15-25(16-14-24)20-11-6-5-7-12-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1
InChIKeyREIFLIHGHWNUAA-UHFFFAOYSA-O
XLogP2.15
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690899
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2656293
N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655625
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7349449
N-(3-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688681
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 6985943) is N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is REIFLIHGHWNUAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-21(26)17-24-13-15-25(16-14-24)20-11-6-5-7-12-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1.
What are the key properties of N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 6985943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).