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

C21H27N3O2 — CID 113106920

IUPAC4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-19(14-17)15-22-21(25)24-12-10-23(11-13-24)16-18-6-8-20(26-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyFMNLXDGGHSSYSZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.03
Rot. Bonds5

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

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106920) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106920
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-19(14-17)15-22-21(25)24-12-10-23(11-13-24)16-18-6-8-20(26-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyFMNLXDGGHSSYSZ-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106920) is 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)NCc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is FMNLXDGGHSSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-4-3-5-19(14-17)15-22-21(25)24-12-10-23(11-13-24)16-18-6-8-20(26-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).