N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C13H23N3O3 — CID 109132906

IUPACN-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O3/c1-15-4-6-16(7-5-15)13(18)11-9-10(11)12(17)14-3-8-19-2/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyWEYYKYLHIKUQRW-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.84
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109132906) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109132906
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O3/c1-15-4-6-16(7-5-15)13(18)11-9-10(11)12(17)14-3-8-19-2/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyWEYYKYLHIKUQRW-UHFFFAOYSA-N
XLogP-0.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.84
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109132906) is N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COCCNC(=O)C1CC1C(=O)N1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is WEYYKYLHIKUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-4-6-16(7-5-15)13(18)11-9-10(11)12(17)14-3-8-19-2/h10-11H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109132906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).