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

C15H30N2O2S — CID 25310534

IUPACN-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(CCCSC)CC1
InChIInChI=1S/C15H30N2O2S/c1-19-12-8-16-15(18)5-4-14-6-10-17(11-7-14)9-3-13-20-2/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyIPRCOHJPJYSBPR-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.99
Rot. Bonds10

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

N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide (PubChem CID 25310534) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide
PubChem CID25310534
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(CCCSC)CC1
InChIInChI=1S/C15H30N2O2S/c1-19-12-8-16-15(18)5-4-14-6-10-17(11-7-14)9-3-13-20-2/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyIPRCOHJPJYSBPR-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.99
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)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide (CID 25310534) is N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(CCCSC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide?
The InChIKey is IPRCOHJPJYSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-19-12-8-16-15(18)5-4-14-6-10-17(11-7-14)9-3-13-20-2/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide has a molecular weight of 302.48 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25310534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).