1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone

C14H23N3O2S — CID 72845393

IUPAC1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSC)C1
InChIInChI=1S/C14H23N3O2S/c1-19-9-8-16-7-5-15-14(16)12-4-3-6-17(10-12)13(18)11-20-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyAUCWFMRBIJKWAG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.60
Rot. Bonds6

About 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone

1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone (PubChem CID 72845393) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone
PubChem CID72845393
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSC)C1
InChIInChI=1S/C14H23N3O2S/c1-19-9-8-16-7-5-15-14(16)12-4-3-6-17(10-12)13(18)11-20-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyAUCWFMRBIJKWAG-UHFFFAOYSA-N
XLogP1.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone (CID 72845393) is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone is COCCn1ccnc1C1CCCN(C(=O)CSC)C1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone?
The InChIKey is AUCWFMRBIJKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-19-9-8-16-7-5-15-14(16)12-4-3-6-17(10-12)13(18)11-20-2/h5,7,12H,3-4,6,8-11H2,1-2H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone?
1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone has a molecular weight of 297.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 72845393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).