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

C14H26N2O3S — CID 25379019

IUPACN-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)CSC)CC1
InChIInChI=1S/C14H26N2O3S/c1-19-10-7-15-13(17)4-3-12-5-8-16(9-6-12)14(18)11-20-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeySMGGDKKEKXKPGB-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.13
Rot. Bonds8

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

N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide (PubChem CID 25379019) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
PubChem CID25379019
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)CSC)CC1
InChIInChI=1S/C14H26N2O3S/c1-19-10-7-15-13(17)4-3-12-5-8-16(9-6-12)14(18)11-20-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeySMGGDKKEKXKPGB-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.13
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-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide (CID 25379019) is N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C(=O)CSC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
The InChIKey is SMGGDKKEKXKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-19-10-7-15-13(17)4-3-12-5-8-16(9-6-12)14(18)11-20-2/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 1.13, 8 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-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25379019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).