4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

C20H33N3O2 — CID 113105129

IUPAC4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2c(C(C)C)cccc2C(C)C)CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)17-7-6-8-18(16(3)4)19(17)22-10-12-23(13-11-22)20(24)21-9-14-25-5/h6-8,15-16H,9-14H2,1-5H3,(H,21,24)
InChIKeyQOVCQAGBFFEYIC-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.41
Rot. Bonds6

About 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113105129) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113105129
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2c(C(C)C)cccc2C(C)C)CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)17-7-6-8-18(16(3)4)19(17)22-10-12-23(13-11-22)20(24)21-9-14-25-5/h6-8,15-16H,9-14H2,1-5H3,(H,21,24)
InChIKeyQOVCQAGBFFEYIC-UHFFFAOYSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 113105129) is 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2c(C(C)C)cccc2C(C)C)CC1.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is QOVCQAGBFFEYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)17-7-6-8-18(16(3)4)19(17)22-10-12-23(13-11-22)20(24)21-9-14-25-5/h6-8,15-16H,9-14H2,1-5H3,(H,21,24).
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).