N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C15H22N4O2 — CID 45366461

IUPACN-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12(20)16-13-4-3-5-14(10-13)17-15(21)11-19-8-6-18(2)7-9-19/h3-5,10H,6-9,11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyUWEOQXLCSCQKID-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.83
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 45366461) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID45366461
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12(20)16-13-4-3-5-14(10-13)17-15(21)11-19-8-6-18(2)7-9-19/h3-5,10H,6-9,11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyUWEOQXLCSCQKID-UHFFFAOYSA-N
XLogP0.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
4-(3-acetamidoanilino)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid
CID 56762650
2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90910898
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285782
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 45366461) is N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CC(=O)Nc1cccc(NC(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is UWEOQXLCSCQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(20)16-13-4-3-5-14(10-13)17-15(21)11-19-8-6-18(2)7-9-19/h3-5,10H,6-9,11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 45366461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).