N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide

C14H27N3O2 — CID 103338802

IUPACN-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-5-8-16(11-12-19-4)13(18)14(2,3)17-9-6-15-7-10-17/h5,15H,1,6-12H2,2-4H3
InChIKeyMSSWHCOSUHXLTO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.33
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide

N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide (PubChem CID 103338802) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide
PubChem CID103338802
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-5-8-16(11-12-19-4)13(18)14(2,3)17-9-6-15-7-10-17/h5,15H,1,6-12H2,2-4H3
InChIKeyMSSWHCOSUHXLTO-UHFFFAOYSA-N
XLogP0.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide (CID 103338802) is N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide is C=CCN(CCOC)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide?
The InChIKey is MSSWHCOSUHXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-8-16(11-12-19-4)13(18)14(2,3)17-9-6-15-7-10-17/h5,15H,1,6-12H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide?
N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide is sourced from PubChem (CID 103338802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).