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

C15H28N2O2S — CID 45192024

IUPACN-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-19-10-7-16-15(18)3-2-13-4-8-17(9-5-13)14-6-11-20-12-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyNCQAHRRGAVPGKE-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.75
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (PubChem CID 45192024) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
PubChem CID45192024
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-19-10-7-16-15(18)3-2-13-4-8-17(9-5-13)14-6-11-20-12-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyNCQAHRRGAVPGKE-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.75
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-(thiolan-3-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (CID 45192024) is N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C2CCSC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The InChIKey is NCQAHRRGAVPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-19-10-7-16-15(18)3-2-13-4-8-17(9-5-13)14-6-11-20-12-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide has a molecular weight of 300.47 g/mol, XLogP of 1.75, 7 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-(thiolan-3-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45192024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).