2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide

C15H19F2N3O3 — CID 110283954

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCO
InChIInChI=1S/C15H19F2N3O3/c16-11-5-10(6-12(17)7-11)9-20-3-1-18-13(15(20)23)8-14(22)19-2-4-21/h5-7,13,18,21H,1-4,8-9H2,(H,19,22)
InChIKeyXWJFRUMPQFLLAN-UHFFFAOYSA-N
MW327.33 g/mol
LogP-0.24
Rot. Bonds6

About 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110283954) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110283954
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCO
InChIInChI=1S/C15H19F2N3O3/c16-11-5-10(6-12(17)7-11)9-20-3-1-18-13(15(20)23)8-14(22)19-2-4-21/h5-7,13,18,21H,1-4,8-9H2,(H,19,22)
InChIKeyXWJFRUMPQFLLAN-UHFFFAOYSA-N
XLogP-0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide (CID 110283954) is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide is O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)NCCO.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is XWJFRUMPQFLLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c16-11-5-10(6-12(17)7-11)9-20-3-1-18-13(15(20)23)8-14(22)19-2-4-21/h5-7,13,18,21H,1-4,8-9H2,(H,19,22).
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 327.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110283954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).