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

C19H27FN4O3 — CID 45201332

IUPAC2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C19H27FN4O3/c20-16-3-1-15(2-4-16)14-24-8-6-22-19(26)17(24)13-18(25)21-5-7-23-9-11-27-12-10-23/h1-4,17H,5-14H2,(H,21,25)(H,22,26)
InChIKeyYXNXPZOWTAXDLM-UHFFFAOYSA-N
MW378.45 g/mol
LogP-0.04
Rot. Bonds7

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

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 45201332) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID45201332
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C19H27FN4O3/c20-16-3-1-15(2-4-16)14-24-8-6-22-19(26)17(24)13-18(25)21-5-7-23-9-11-27-12-10-23/h1-4,17H,5-14H2,(H,21,25)(H,22,26)
InChIKeyYXNXPZOWTAXDLM-UHFFFAOYSA-N
XLogP-0.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 45201332) is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCN1CCOCC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YXNXPZOWTAXDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c20-16-3-1-15(2-4-16)14-24-8-6-22-19(26)17(24)13-18(25)21-5-7-23-9-11-27-12-10-23/h1-4,17H,5-14H2,(H,21,25)(H,22,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 45201332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).