N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide

C16H28N2O3 — CID 25365090

IUPACN-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C=C(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-13(2)12-16(20)18-9-6-14(7-10-18)4-5-15(19)17-8-11-21-3/h12,14H,4-11H2,1-3H3,(H,17,19)
InChIKeyJERSIFPIUHQSTM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds7

About N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide (PubChem CID 25365090) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
PubChem CID25365090
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C=C(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-13(2)12-16(20)18-9-6-14(7-10-18)4-5-15(19)17-8-11-21-3/h12,14H,4-11H2,1-3H3,(H,17,19)
InChIKeyJERSIFPIUHQSTM-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide (CID 25365090) is N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C(=O)C=C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
The InChIKey is JERSIFPIUHQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)12-16(20)18-9-6-14(7-10-18)4-5-15(19)17-8-11-21-3/h12,14H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide has a molecular weight of 296.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25365090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).