N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C21H32N4O2 — CID 30738049

IUPACN-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-18-7-3-4-8-19(18)15-22-20(26)16-23-11-13-24(14-12-23)17-21(27)25-9-5-2-6-10-25/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,22,26)
InChIKeyKMZWGLKSDXNJQH-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.24
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 30738049) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID30738049
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-18-7-3-4-8-19(18)15-22-20(26)16-23-11-13-24(14-12-23)17-21(27)25-9-5-2-6-10-25/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,22,26)
InChIKeyKMZWGLKSDXNJQH-UHFFFAOYSA-N
XLogP1.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzylpiperazine-2,6-dione
CID 560967
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
1-(2-Phenylethyl)-4-(phenylmethyl)-2,6-piperazinedione
CID 2259642
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4963907
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
N-benzyl-2-[4-(3-fluorobenzyl)-1-piperazinyl]acetamide
CID 6464809

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 30738049) is N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is Cc1ccccc1CNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is KMZWGLKSDXNJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-18-7-3-4-8-19(18)15-22-20(26)16-23-11-13-24(14-12-23)17-21(27)25-9-5-2-6-10-25/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,22,26).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30738049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).