N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid

C16H23N3O5 — CID 24761071

IUPACN-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
SMILESCc1ccccc1NC(=O)CN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H21N3O.C2H2O4/c1-12-5-3-4-6-13(12)15-14(18)11-17-9-7-16(2)8-10-17;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3,(H,15,18);(H,3,4)(H,5,6)
InChIKeyBPALSAQGTDNSCT-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.34
Rot. Bonds3

About N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid

N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid (PubChem CID 24761071) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
PubChem CID24761071
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
SMILESCc1ccccc1NC(=O)CN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H21N3O.C2H2O4/c1-12-5-3-4-6-13(12)15-14(18)11-17-9-7-16(2)8-10-17;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3,(H,15,18);(H,3,4)(H,5,6)
InChIKeyBPALSAQGTDNSCT-UHFFFAOYSA-N
XLogP0.34
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid?
The IUPAC name of N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid (CID 24761071) is N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid?
The canonical SMILES for N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid is Cc1ccccc1NC(=O)CN1CCN(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid?
The InChIKey is BPALSAQGTDNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C2H2O4/c1-12-5-3-4-6-13(12)15-14(18)11-17-9-7-16(2)8-10-17;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3,(H,15,18);(H,3,4)(H,5,6).
What are the key properties of N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid?
N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid has a molecular weight of 337.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid is sourced from PubChem (CID 24761071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).