N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide

C25H25N3O3 — CID 6459237

IUPACN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-21-13-11-20(12-14-21)27-15-17-28(18-16-27)25(30)22-9-5-6-10-23(22)26-24(29)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,26,29)
InChIKeyPYGTXBGQDQVBGC-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.91
Rot. Bonds5

About N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide

N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 6459237) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID6459237
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-21-13-11-20(12-14-21)27-15-17-28(18-16-27)25(30)22-9-5-6-10-23(22)26-24(29)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,26,29)
InChIKeyPYGTXBGQDQVBGC-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide (CID 6459237) is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide is COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is PYGTXBGQDQVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-21-13-11-20(12-14-21)27-15-17-28(18-16-27)25(30)22-9-5-6-10-23(22)26-24(29)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,26,29).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 6459237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).