2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide

C23H24FN5O2 — CID 45208522

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H24FN5O2/c24-19-8-4-5-16(11-19)15-29-10-9-25-23(31)20(29)12-21(30)26-13-18-14-27-28-22(18)17-6-2-1-3-7-17/h1-8,11,14,20H,9-10,12-13,15H2,(H,25,31)(H,26,30)(H,27,28)
InChIKeyWXMMHIDSFAXMRL-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.22
Rot. Bonds7

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 45208522) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID45208522
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H24FN5O2/c24-19-8-4-5-16(11-19)15-29-10-9-25-23(31)20(29)12-21(30)26-13-18-14-27-28-22(18)17-6-2-1-3-7-17/h1-8,11,14,20H,9-10,12-13,15H2,(H,25,31)(H,26,30)(H,27,28)
InChIKeyWXMMHIDSFAXMRL-UHFFFAOYSA-N
XLogP2.22
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide (CID 45208522) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is WXMMHIDSFAXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-19-8-4-5-16(11-19)15-29-10-9-25-23(31)20(29)12-21(30)26-13-18-14-27-28-22(18)17-6-2-1-3-7-17/h1-8,11,14,20H,9-10,12-13,15H2,(H,25,31)(H,26,30)(H,27,28).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 45208522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).