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

C19H24FN5O3 — CID 45193884

IUPAC2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)c(F)c1
InChIInChI=1S/C19H24FN5O3/c1-28-15-4-3-14(16(20)11-15)13-24-9-6-22-19(27)17(24)12-18(26)21-7-10-25-8-2-5-23-25/h2-5,8,11,17H,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyDLHZUBDFZUPTSN-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.54
Rot. Bonds8

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

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 45193884) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID45193884
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)c(F)c1
InChIInChI=1S/C19H24FN5O3/c1-28-15-4-3-14(16(20)11-15)13-24-9-6-22-19(27)17(24)12-18(26)21-7-10-25-8-2-5-23-25/h2-5,8,11,17H,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyDLHZUBDFZUPTSN-UHFFFAOYSA-N
XLogP0.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 45193884) is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCCn2cccn2)c(F)c1.
What is the InChIKey of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is DLHZUBDFZUPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-28-15-4-3-14(16(20)11-15)13-24-9-6-22-19(27)17(24)12-18(26)21-7-10-25-8-2-5-23-25/h2-5,8,11,17H,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 45193884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).