4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide

C20H25N3O2 — CID 110638151

IUPAC4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(OCCN2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-17-7-9-19(10-8-17)25-16-15-22-11-13-23(14-12-22)20(24)21-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyRKSQQDRWCXJWHK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds5

About 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide

4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 110638151) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID110638151
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(OCCN2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-17-7-9-19(10-8-17)25-16-15-22-11-13-23(14-12-22)20(24)21-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyRKSQQDRWCXJWHK-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide (CID 110638151) is 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide is Cc1ccc(OCCN2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is RKSQQDRWCXJWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-17-7-9-19(10-8-17)25-16-15-22-11-13-23(14-12-22)20(24)21-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).