N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 3241623

IUPACN-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cccc(C)c3)C(C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-8-18(12-15)23-11-10-22(14-16(23)2)20(24)21-17-7-5-9-19(13-17)25-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,24)
InChIKeyPSQIJUAJXFPDTB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.75
Rot. Bonds3

About N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 3241623) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID3241623
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cccc(C)c3)C(C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-8-18(12-15)23-11-10-22(14-16(23)2)20(24)21-17-7-5-9-19(13-17)25-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,24)
InChIKeyPSQIJUAJXFPDTB-UHFFFAOYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (CID 3241623) is N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3cccc(C)c3)C(C)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PSQIJUAJXFPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-4-8-18(12-15)23-11-10-22(14-16(23)2)20(24)21-17-7-5-9-19(13-17)25-3/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,21,24).
What are the key properties of N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3241623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).