2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C21H25FN4O2 — CID 24790228

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c1-25(11-8-18-7-2-3-9-23-18)20(27)14-19-21(28)24-10-12-26(19)15-16-5-4-6-17(22)13-16/h2-7,9,13,19H,8,10-12,14-15H2,1H3,(H,24,28)
InChIKeyCXGPUKRHVMKCPF-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 24790228) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID24790228
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c1-25(11-8-18-7-2-3-9-23-18)20(27)14-19-21(28)24-10-12-26(19)15-16-5-4-6-17(22)13-16/h2-7,9,13,19H,8,10-12,14-15H2,1H3,(H,24,28)
InChIKeyCXGPUKRHVMKCPF-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.61
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-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 24790228) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CN(CCc1ccccn1)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-pyridin-2-ylethyl)acetamide?
The InChIKey is CXGPUKRHVMKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-25(11-8-18-7-2-3-9-23-18)20(27)14-19-21(28)24-10-12-26(19)15-16-5-4-6-17(22)13-16/h2-7,9,13,19H,8,10-12,14-15H2,1H3,(H,24,28).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.61, 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-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 24790228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).