N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide

C19H29N3O2 — CID 30289764

IUPACN-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C19H29N3O2/c1-5-14(2)19(24)22-11-9-21(10-12-22)13-17(23)20-18-15(3)7-6-8-16(18)4/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyRIPTYVXOZIFGAC-CQSZACIVSA-N
MW331.46 g/mol
LogP2.43
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide (PubChem CID 30289764) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
PubChem CID30289764
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C19H29N3O2/c1-5-14(2)19(24)22-11-9-21(10-12-22)13-17(23)20-18-15(3)7-6-8-16(18)4/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyRIPTYVXOZIFGAC-CQSZACIVSA-N
XLogP2.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119833398
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
CID 78798955
N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide
CID 55987097
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-[(2R)-2-benzylsulfanylpropanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51959190
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide (CID 30289764) is N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide is CC[C@@H](C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide?
The InChIKey is RIPTYVXOZIFGAC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-14(2)19(24)22-11-9-21(10-12-22)13-17(23)20-18-15(3)7-6-8-16(18)4/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30289764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).