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

C21H27N3O2 — CID 9115659

IUPAC4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-3-26-20-7-5-4-6-19(20)23-12-14-24(15-13-23)21(25)22-16-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyUZSITKFXZGTLCC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.43
Rot. Bonds5

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

4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 9115659) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID9115659
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-3-26-20-7-5-4-6-19(20)23-12-14-24(15-13-23)21(25)22-16-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyUZSITKFXZGTLCC-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 9115659) is 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is UZSITKFXZGTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-26-20-7-5-4-6-19(20)23-12-14-24(15-13-23)21(25)22-16-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3,(H,22,25).
What are the key properties of 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 9115659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).