N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide

C19H29N3O2 — CID 27859808

IUPACN-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
SMILESCCCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C19H29N3O2/c1-4-5-9-19(24)22-12-10-21(11-13-22)14-18(23)20-17-8-6-7-15(2)16(17)3/h6-8H,4-5,9-14H2,1-3H3,(H,20,23)
InChIKeyVWXLTYDEPZGHCL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.58
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide (PubChem CID 27859808) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
PubChem CID27859808
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
SMILESCCCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C19H29N3O2/c1-4-5-9-19(24)22-12-10-21(11-13-22)14-18(23)20-17-8-6-7-15(2)16(17)3/h6-8H,4-5,9-14H2,1-3H3,(H,20,23)
InChIKeyVWXLTYDEPZGHCL-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 18521567
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936
N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
N-(2,3-dimethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27860014
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
N-[3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 27859658

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide (CID 27859808) is N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide is CCCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide?
The InChIKey is VWXLTYDEPZGHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-5-9-19(24)22-12-10-21(11-13-22)14-18(23)20-17-8-6-7-15(2)16(17)3/h6-8H,4-5,9-14H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27859808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).