N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

C17H27N3O3 — CID 110616485

IUPACN-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCc2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O3/c1-22-14-8-18-17(21)20-12-10-19(11-13-20)9-7-15-5-3-4-6-16(15)23-2/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyXCENSQIJAOVNGY-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.21
Rot. Bonds7

About N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 110616485) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID110616485
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCc2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O3/c1-22-14-8-18-17(21)20-12-10-19(11-13-20)9-7-15-5-3-4-6-16(15)23-2/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyXCENSQIJAOVNGY-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 110357392
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 110616485) is N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is COCCNC(=O)N1CCN(CCc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is XCENSQIJAOVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-22-14-8-18-17(21)20-12-10-19(11-13-20)9-7-15-5-3-4-6-16(15)23-2/h3-6H,7-14H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110616485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).