N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide

C19H26N4OS — CID 72846343

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)CN2CCCC(c3ccccc3)C2)n1C
InChIInChI=1S/C19H26N4OS/c1-22-17(12-21-19(22)25-2)11-20-18(24)14-23-10-6-9-16(13-23)15-7-4-3-5-8-15/h3-5,7-8,12,16H,6,9-11,13-14H2,1-2H3,(H,20,24)
InChIKeyNUQISACDNIFRAA-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.64
Rot. Bonds6

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide (PubChem CID 72846343) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide
PubChem CID72846343
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)CN2CCCC(c3ccccc3)C2)n1C
InChIInChI=1S/C19H26N4OS/c1-22-17(12-21-19(22)25-2)11-20-18(24)14-23-10-6-9-16(13-23)15-7-4-3-5-8-15/h3-5,7-8,12,16H,6,9-11,13-14H2,1-2H3,(H,20,24)
InChIKeyNUQISACDNIFRAA-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cbs-3595
CID 11639342
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
CID 10450926
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3430647
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]-2-pyridinyl]acetamide
CID 9934928
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide
CID 11014483
N-{4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanyl-3H-imidazol-4-yl]pyridin-2-yl}acetamide
CID 11315961
2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]amino]methyl]imidazol-1-yl]-N-piperidin-3-ylacetamide
CID 25022639
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone
CID 649804
N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide
CID 853540
2-(1-Methyl-5-phenylimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864219
2-[(1-benzyl-1H-imidazol-2-yl)thio]-N-butylacetamide
CID 2849681

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide (CID 72846343) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide is CSc1ncc(CNC(=O)CN2CCCC(c3ccccc3)C2)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide?
The InChIKey is NUQISACDNIFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22-17(12-21-19(22)25-2)11-20-18(24)14-23-10-6-9-16(13-23)15-7-4-3-5-8-15/h3-5,7-8,12,16H,6,9-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(3-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 72846343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).