N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide

C24H23ClN4O2 — CID 45268155

IUPACN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C24H23ClN4O2/c25-21-16-20(27-23(30)17-19-8-4-5-11-26-19)9-10-22(21)28-12-14-29(15-13-28)24(31)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyVZEHTRHRKIGULP-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.88
Rot. Bonds5

About N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide (PubChem CID 45268155) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide
PubChem CID45268155
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C24H23ClN4O2/c25-21-16-20(27-23(30)17-19-8-4-5-11-26-19)9-10-22(21)28-12-14-29(15-13-28)24(31)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyVZEHTRHRKIGULP-UHFFFAOYSA-N
XLogP3.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide (CID 45268155) is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide?
The InChIKey is VZEHTRHRKIGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-21-16-20(27-23(30)17-19-8-4-5-11-26-19)9-10-22(21)28-12-14-29(15-13-28)24(31)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide?
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide has a molecular weight of 434.93 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 45268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).