4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

C17H27N3O3 — CID 110357392

IUPAC4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCCOC)CC1
InChIInChI=1S/C17H27N3O3/c1-3-23-16-7-5-4-6-15(16)14-19-9-11-20(12-10-19)17(21)18-8-13-22-2/h4-7H,3,8-14H2,1-2H3,(H,18,21)
InChIKeyVFRLCZAARZAHJR-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.56
Rot. Bonds7

About 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 110357392) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID110357392
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCCOC)CC1
InChIInChI=1S/C17H27N3O3/c1-3-23-16-7-5-4-6-15(16)14-19-9-11-20(12-10-19)17(21)18-8-13-22-2/h4-7H,3,8-14H2,1-2H3,(H,18,21)
InChIKeyVFRLCZAARZAHJR-UHFFFAOYSA-N
XLogP1.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.56
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

4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
CID 110357396
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
4-(1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 167808047
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110426711
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 110357392) is 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is CCOc1ccccc1CN1CCN(C(=O)NCCOC)CC1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is VFRLCZAARZAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-23-16-7-5-4-6-15(16)14-19-9-11-20(12-10-19)17(21)18-8-13-22-2/h4-7H,3,8-14H2,1-2H3,(H,18,21).
What are the key properties of 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110357392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).