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

C20H29FN4O3 — CID 24818906

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C20H29FN4O3/c1-23(8-9-24-10-12-28-13-11-24)19(26)14-18-20(27)22-6-7-25(18)15-16-4-2-3-5-17(16)21/h2-5,18H,6-15H2,1H3,(H,22,27)
InChIKeyMMNHQYDAJZRZNI-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.31
Rot. Bonds7

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

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 24818906) has the molecular formula C20H29FN4O3 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID24818906
Molecular FormulaC20H29FN4O3
Molecular Weight392.48 g/mol
Exact Mass392.22
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C20H29FN4O3/c1-23(8-9-24-10-12-28-13-11-24)19(26)14-18-20(27)22-6-7-25(18)15-16-4-2-3-5-17(16)21/h2-5,18H,6-15H2,1H3,(H,22,27)
InChIKeyMMNHQYDAJZRZNI-UHFFFAOYSA-N
XLogP0.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (CID 24818906) is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is CN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is MMNHQYDAJZRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O3/c1-23(8-9-24-10-12-28-13-11-24)19(26)14-18-20(27)22-6-7-25(18)15-16-4-2-3-5-17(16)21/h2-5,18H,6-15H2,1H3,(H,22,27).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 24818906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).