4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

C18H29N3O2 — CID 113104956

IUPAC4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)16-7-5-6-15(3)17(16)19-18(22)21-10-8-20(9-11-21)12-13-23-4/h5-7,14H,8-13H2,1-4H3,(H,19,22)
InChIKeyNRZPNDSDCYYQGH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.91
Rot. Bonds5

About 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113104956) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113104956
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)16-7-5-6-15(3)17(16)19-18(22)21-10-8-20(9-11-21)12-13-23-4/h5-7,14H,8-13H2,1-4H3,(H,19,22)
InChIKeyNRZPNDSDCYYQGH-UHFFFAOYSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
4-[(4-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113108147
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112569

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113104956) is 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is NRZPNDSDCYYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)16-7-5-6-15(3)17(16)19-18(22)21-10-8-20(9-11-21)12-13-23-4/h5-7,14H,8-13H2,1-4H3,(H,19,22).
What are the key properties of 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).