2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide

C17H25N3O2 — CID 86286611

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NC3CCOC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)12-17(21)18-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,18,21)
InChIKeyUOOMVGCRJSOLKZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.02
Rot. Bonds4

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide (PubChem CID 86286611) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
PubChem CID86286611
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NC3CCOC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)12-17(21)18-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,18,21)
InChIKeyUOOMVGCRJSOLKZ-UHFFFAOYSA-N
XLogP1.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043
N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
CID 75517123
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide (CID 86286611) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide is Cc1cccc(N2CCN(CC(=O)NC3CCOC3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide?
The InChIKey is UOOMVGCRJSOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)12-17(21)18-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,18,21).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 86286611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).