2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide

C19H28N4O3 — CID 78805058

IUPAC2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CC(NC(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-14-4-6-16(7-5-14)17(21-15(2)24)12-19(26)23-10-8-22(9-11-23)13-18(25)20-3/h4-7,17H,8-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyWLEBYPOWFPIFSA-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.45
Rot. Bonds6

About 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide

2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78805058) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
PubChem CID78805058
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CC(NC(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-14-4-6-16(7-5-14)17(21-15(2)24)12-19(26)23-10-8-22(9-11-23)13-18(25)20-3/h4-7,17H,8-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyWLEBYPOWFPIFSA-UHFFFAOYSA-N
XLogP0.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
3-acetamido-N-methyl-N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(4-methylphenyl)propanamide
CID 167823289
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 78850066
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 30136874
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide (CID 78805058) is 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)CC(NC(C)=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is WLEBYPOWFPIFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14-4-6-16(7-5-14)17(21-15(2)24)12-19(26)23-10-8-22(9-11-23)13-18(25)20-3/h4-7,17H,8-13H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 360.46 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78805058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).