N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide

C26H27N3O2 — CID 1368581

IUPACN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27N3O2/c1-20-9-5-6-12-22(20)25(30)27-24-14-8-7-13-23(24)26(31)29-17-15-28(16-18-29)19-21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyZTSLOIQXCGHIAA-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.21
Rot. Bonds5

About N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 1368581) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID1368581
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27N3O2/c1-20-9-5-6-12-22(20)25(30)27-24-14-8-7-13-23(24)26(31)29-17-15-28(16-18-29)19-21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyZTSLOIQXCGHIAA-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide (CID 1368581) is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is ZTSLOIQXCGHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-20-9-5-6-12-22(20)25(30)27-24-14-8-7-13-23(24)26(31)29-17-15-28(16-18-29)19-21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide?
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 1368581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).