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

C21H27N3O2 — CID 113109366

IUPAC4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)22-21(25)24-14-12-23(13-15-24)11-10-18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyDAZIHQXUHTYTRF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.40
Rot. Bonds5

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

4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113109366) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113109366
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)22-21(25)24-14-12-23(13-15-24)11-10-18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyDAZIHQXUHTYTRF-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109409
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
4-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 19289427
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide (CID 113109366) is 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide is COc1cccc(CCN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DAZIHQXUHTYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)22-21(25)24-14-12-23(13-15-24)11-10-18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).