N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide

C26H27N3O3 — CID 2890469

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C26H27N3O3/c1-20(30)28-14-16-29(17-15-28)24-12-10-23(11-13-24)27-26(31)22-8-5-9-25(18-22)32-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3,(H,27,31)
InChIKeyQSHYNPDWHULQOC-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.19
Rot. Bonds6

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 2890469) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
PubChem CID2890469
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C26H27N3O3/c1-20(30)28-14-16-29(17-15-28)24-12-10-23(11-13-24)27-26(31)22-8-5-9-25(18-22)32-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3,(H,27,31)
InChIKeyQSHYNPDWHULQOC-UHFFFAOYSA-N
XLogP4.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.19
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-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide (CID 2890469) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is QSHYNPDWHULQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-20(30)28-14-16-29(17-15-28)24-12-10-23(11-13-24)27-26(31)22-8-5-9-25(18-22)32-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3,(H,27,31).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 2890469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).