2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide

C16H22FN3O4 — CID 56899622

IUPAC2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCO)c(F)c1
InChIInChI=1S/C16H22FN3O4/c1-24-12-3-2-11(13(17)8-12)10-20-6-4-19-16(23)14(20)9-15(22)18-5-7-21/h2-3,8,14,21H,4-7,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyIZLVCVRPOUOIHS-UHFFFAOYSA-N
MW339.37 g/mol
LogP-0.37
Rot. Bonds7

About 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 56899622) has the molecular formula C16H22FN3O4 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID56899622
Molecular FormulaC16H22FN3O4
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCO)c(F)c1
InChIInChI=1S/C16H22FN3O4/c1-24-12-3-2-11(13(17)8-12)10-20-6-4-19-16(23)14(20)9-15(22)18-5-7-21/h2-3,8,14,21H,4-7,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyIZLVCVRPOUOIHS-UHFFFAOYSA-N
XLogP-0.37
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide (CID 56899622) is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCCO)c(F)c1.
What is the InChIKey of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is IZLVCVRPOUOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4/c1-24-12-3-2-11(13(17)8-12)10-20-6-4-19-16(23)14(20)9-15(22)18-5-7-21/h2-3,8,14,21H,4-7,9-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 339.37 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 56899622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).