N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C20H25N3O — CID 3157325

IUPACN-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-12-17(2)14-18(13-16)21-20(24)15-22-8-10-23(11-9-22)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,21,24)
InChIKeyVMRPGXMHYROYIL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.06
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 3157325) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID3157325
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-12-17(2)14-18(13-16)21-20(24)15-22-8-10-23(11-9-22)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,21,24)
InChIKeyVMRPGXMHYROYIL-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 3157325) is N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is VMRPGXMHYROYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-12-17(2)14-18(13-16)21-20(24)15-22-8-10-23(11-9-22)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3157325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).