N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 9156673

IUPACN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyMCXZHENPRLSMLY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 9156673) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID9156673
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyMCXZHENPRLSMLY-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide (CID 9156673) is N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MCXZHENPRLSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 9156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).