4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 113111740

IUPAC4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-16(2)14-18(13-15)22-8-10-23(11-9-22)20(24)21-17-4-6-19(25-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3,(H,21,24)
InChIKeyXPBUERQWSAMELO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113111740) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113111740
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-16(2)14-18(13-15)22-8-10-23(11-9-22)20(24)21-17-4-6-19(25-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3,(H,21,24)
InChIKeyXPBUERQWSAMELO-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-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 113111740) is 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is XPBUERQWSAMELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-16(2)14-18(13-15)22-8-10-23(11-9-22)20(24)21-17-4-6-19(25-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3,(H,21,24).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(3,5-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-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).