1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one

C15H25N3O2S — CID 72919738

IUPAC1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCOCCn1ccnc1C1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C15H25N3O2S/c1-20-11-10-18-9-6-16-15(18)13-3-7-17(8-4-13)14(19)5-12-21-2/h6,9,13H,3-5,7-8,10-12H2,1-2H3
InChIKeyZLDUMHOBNOYRIE-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.99
Rot. Bonds7

About 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one

1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (PubChem CID 72919738) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
PubChem CID72919738
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCOCCn1ccnc1C1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C15H25N3O2S/c1-20-11-10-18-9-6-16-15(18)13-3-7-17(8-4-13)14(19)5-12-21-2/h6,9,13H,3-5,7-8,10-12H2,1-2H3
InChIKeyZLDUMHOBNOYRIE-UHFFFAOYSA-N
XLogP1.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (CID 72919738) is 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is COCCn1ccnc1C1CCN(C(=O)CCSC)CC1.
What is the InChIKey of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is ZLDUMHOBNOYRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-20-11-10-18-9-6-16-15(18)13-3-7-17(8-4-13)14(19)5-12-21-2/h6,9,13H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 311.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 72919738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).