4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 3688554

IUPAC4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-5-4-6-16(2)19(15)22-11-13-23(14-12-22)20(24)21-17-7-9-18(25-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKeyLNUPFIHDGLBISX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds3

About 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 3688554) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID3688554
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-5-4-6-16(2)19(15)22-11-13-23(14-12-22)20(24)21-17-7-9-18(25-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKeyLNUPFIHDGLBISX-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
methyl 4-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111851
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036
methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 3688554) is 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LNUPFIHDGLBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-4-6-16(2)19(15)22-11-13-23(14-12-22)20(24)21-17-7-9-18(25-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,21,24).
What are the key properties of 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3688554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).