2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

C18H28N4O2 — CID 9266085

IUPAC2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-18(24)20-17(23)13-22-9-7-21(8-10-22)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H2,19,20,23,24)
InChIKeyVULFMVBRWADUMC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.35
Rot. Bonds5

About 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 9266085) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID9266085
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-18(24)20-17(23)13-22-9-7-21(8-10-22)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H2,19,20,23,24)
InChIKeyVULFMVBRWADUMC-UHFFFAOYSA-N
XLogP1.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266367
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597892
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597854
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 9266085) is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is Cc1cccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is VULFMVBRWADUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)19-18(24)20-17(23)13-22-9-7-21(8-10-22)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H2,19,20,23,24).
What are the key properties of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 9266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).