N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C23H24FN5O — CID 651665

IUPACN-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2
InChIKeyAAFWFVZHWDWSPW-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.97
Rot. Bonds6

About N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 651665) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID651665
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2
InChIKeyAAFWFVZHWDWSPW-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 651665) is N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is AAFWFVZHWDWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2.
What are the key properties of N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 651665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).