N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

C22H27N3O2 — CID 51194749

IUPACN-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C22H27N3O2/c1-17-8-10-19(11-9-17)21(23-18(2)26)16-22(27)25-14-12-24(13-15-25)20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,23,26)
InChIKeyMPAAERXQDAGLJB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 51194749) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID51194749
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C22H27N3O2/c1-17-8-10-19(11-9-17)21(23-18(2)26)16-22(27)25-14-12-24(13-15-25)20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,23,26)
InChIKeyMPAAERXQDAGLJB-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 78850066
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
N-[1-(4-methylphenyl)-3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]acetamide
CID 134049216
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 51194749) is N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is CC(=O)NC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is MPAAERXQDAGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-8-10-19(11-9-17)21(23-18(2)26)16-22(27)25-14-12-24(13-15-25)20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 51194749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).