N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide

C27H30N4O2 — CID 27860207

IUPACN-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccccc4)nc3C)CC2)c1C
InChIInChI=1S/C27H30N4O2/c1-19-8-7-11-24(20(19)2)29-26(32)18-30-14-16-31(17-15-30)27(33)23-12-13-25(28-21(23)3)22-9-5-4-6-10-22/h4-13H,14-18H2,1-3H3,(H,29,32)
InChIKeyVIWUGMZXBMEATH-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.07
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 27860207) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID27860207
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccccc4)nc3C)CC2)c1C
InChIInChI=1S/C27H30N4O2/c1-19-8-7-11-24(20(19)2)29-26(32)18-30-14-16-31(17-15-30)27(33)23-12-13-25(28-21(23)3)22-9-5-4-6-10-22/h4-13H,14-18H2,1-3H3,(H,29,32)
InChIKeyVIWUGMZXBMEATH-UHFFFAOYSA-N
XLogP4.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CID 37205967
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N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
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N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
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N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-(2,3-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17464926
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
N-(2,3-dimethylphenyl)-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 55364388
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 27860207) is N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccccc4)nc3C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is VIWUGMZXBMEATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19-8-7-11-24(20(19)2)29-26(32)18-30-14-16-31(17-15-30)27(33)23-12-13-25(28-21(23)3)22-9-5-4-6-10-22/h4-13H,14-18H2,1-3H3,(H,29,32).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27860207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).