2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide

C19H26FN3O3 — CID 24791136

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-22(15-6-10-26-11-7-15)18(24)12-17-19(25)21-8-9-23(17)13-14-4-2-3-5-16(14)20/h2-5,15,17H,6-13H2,1H3,(H,21,25)
InChIKeyTWHORTHDNSJUGI-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 24791136) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID24791136
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-22(15-6-10-26-11-7-15)18(24)12-17-19(25)21-8-9-23(17)13-14-4-2-3-5-16(14)20/h2-5,15,17H,6-13H2,1H3,(H,21,25)
InChIKeyTWHORTHDNSJUGI-UHFFFAOYSA-N
XLogP1.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide (CID 24791136) is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C1CCOCC1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is TWHORTHDNSJUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-22(15-6-10-26-11-7-15)18(24)12-17-19(25)21-8-9-23(17)13-14-4-2-3-5-16(14)20/h2-5,15,17H,6-13H2,1H3,(H,21,25).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 363.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 24791136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).