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

C20H31N3O2 — CID 86285043

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCC3CCCCO3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-17-5-4-6-18(15-17)23-12-10-22(11-13-23)16-20(24)21-9-8-19-7-2-3-14-25-19/h4-6,15,19H,2-3,7-14,16H2,1H3,(H,21,24)
InChIKeyUGEMBUWAOOZOGZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.19
Rot. Bonds6

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

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide (PubChem CID 86285043) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
PubChem CID86285043
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCC3CCCCO3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-17-5-4-6-18(15-17)23-12-10-22(11-13-23)16-20(24)21-9-8-19-7-2-3-14-25-19/h4-6,15,19H,2-3,7-14,16H2,1H3,(H,21,24)
InChIKeyUGEMBUWAOOZOGZ-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943652
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960037
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
CID 86286611
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide (CID 86285043) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide is Cc1cccc(N2CCN(CC(=O)NCCC3CCCCO3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide?
The InChIKey is UGEMBUWAOOZOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17-5-4-6-18(15-17)23-12-10-22(11-13-23)16-20(24)21-9-8-19-7-2-3-14-25-19/h4-6,15,19H,2-3,7-14,16H2,1H3,(H,21,24).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.19, 6 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-[2-(oxan-2-yl)ethyl]acetamide is sourced from PubChem (CID 86285043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).