2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide

C16H23N3O2 — CID 51167865

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-7-15(12)17-16(21)13(2)18-8-10-19(11-9-18)14(3)20/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyBAIULCKNYSCXGY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide

2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (PubChem CID 51167865) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
PubChem CID51167865
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-7-15(12)17-16(21)13(2)18-8-10-19(11-9-18)14(3)20/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyBAIULCKNYSCXGY-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30736001
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (CID 51167865) is 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is CC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is BAIULCKNYSCXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-4-5-7-15(12)17-16(21)13(2)18-8-10-19(11-9-18)14(3)20/h4-7,13H,8-11H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 51167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).