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

C21H30FN3O3 — CID 24792040

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C21H30FN3O3/c1-24(9-5-16-6-11-28-12-7-16)20(26)14-19-21(27)23-8-10-25(19)15-17-3-2-4-18(22)13-17/h2-4,13,16,19H,5-12,14-15H2,1H3,(H,23,27)
InChIKeyURPBUWXCJJNXLS-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.79
Rot. Bonds7

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

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 24792040) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID24792040
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C21H30FN3O3/c1-24(9-5-16-6-11-28-12-7-16)20(26)14-19-21(27)23-8-10-25(19)15-17-3-2-4-18(22)13-17/h2-4,13,16,19H,5-12,14-15H2,1H3,(H,23,27)
InChIKeyURPBUWXCJJNXLS-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 24792040) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is CN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is URPBUWXCJJNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-24(9-5-16-6-11-28-12-7-16)20(26)14-19-21(27)23-8-10-25(19)15-17-3-2-4-18(22)13-17/h2-4,13,16,19H,5-12,14-15H2,1H3,(H,23,27).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 24792040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).