4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

C22H29N3O3 — CID 113110274

IUPAC4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-5-4-6-18(2)21(17)24-12-14-25(15-13-24)22(26)23-11-16-28-20-9-7-19(27-3)8-10-20/h4-10H,11-16H2,1-3H3,(H,23,26)
InChIKeyXHPBRUYAGKUGOD-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.22
Rot. Bonds6

About 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 113110274) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID113110274
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-5-4-6-18(2)21(17)24-12-14-25(15-13-24)22(26)23-11-16-28-20-9-7-19(27-3)8-10-20/h4-10H,11-16H2,1-3H3,(H,23,26)
InChIKeyXHPBRUYAGKUGOD-UHFFFAOYSA-N
XLogP3.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (CID 113110274) is 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is COc1ccc(OCCNC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is XHPBRUYAGKUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-5-4-6-18(2)21(17)24-12-14-25(15-13-24)22(26)23-11-16-28-20-9-7-19(27-3)8-10-20/h4-10H,11-16H2,1-3H3,(H,23,26).
What are the key properties of 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113110274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).