2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide

C18H24N4OS — CID 72863463

IUPAC2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c19-17(23)14-22-10-8-20-18(22)15-5-4-9-21(13-15)11-12-24-16-6-2-1-3-7-16/h1-3,6-8,10,15H,4-5,9,11-14H2,(H2,19,23)
InChIKeyXKPOHHAJWWJSGC-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.34
Rot. Bonds7

About 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72863463) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72863463
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c19-17(23)14-22-10-8-20-18(22)15-5-4-9-21(13-15)11-12-24-16-6-2-1-3-7-16/h1-3,6-8,10,15H,4-5,9,11-14H2,(H2,19,23)
InChIKeyXKPOHHAJWWJSGC-UHFFFAOYSA-N
XLogP2.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 72863463) is 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCCN(CCSc2ccccc2)C1.
What is the InChIKey of 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is XKPOHHAJWWJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-17(23)14-22-10-8-20-18(22)15-5-4-9-21(13-15)11-12-24-16-6-2-1-3-7-16/h1-3,6-8,10,15H,4-5,9,11-14H2,(H2,19,23).
What are the key properties of 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).