1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

C15H20N6O2S — CID 70750574

IUPAC1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)N2CCCC(C(=O)c3nccn3C)C2)n[nH]1
InChIInChI=1S/C15H20N6O2S/c1-10-17-15(19-18-10)24-9-12(22)21-6-3-4-11(8-21)13(23)14-16-5-7-20(14)2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyRZMZRZHASZICGD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.06
Rot. Bonds5

About 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 70750574) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID70750574
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)N2CCCC(C(=O)c3nccn3C)C2)n[nH]1
InChIInChI=1S/C15H20N6O2S/c1-10-17-15(19-18-10)24-9-12(22)21-6-3-4-11(8-21)13(23)14-16-5-7-20(14)2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyRZMZRZHASZICGD-UHFFFAOYSA-N
XLogP1.06
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 70734464
1-{[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetyl}-3-(1H-imidazol-2-yl)piperidine
CID 70766089
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 70777881
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 72862836
2-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-4-piperidinyl}-1H-imidazol-1-yl)acetamide
CID 72869386
2-[2-(1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}-3-piperidinyl)-1H-imidazol-1-yl]acetamide
CID 72910774
5-({2-[3-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}thio)-1H-1,2,4-triazol-3-amine
CID 72919702
1-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 96397776
1-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 96397777
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 96402426
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 96402427
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 97125367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 70750574) is 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cc1nc(SCC(=O)N2CCCC(C(=O)c3nccn3C)C2)n[nH]1.
What is the InChIKey of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is RZMZRZHASZICGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10-17-15(19-18-10)24-9-12(22)21-6-3-4-11(8-21)13(23)14-16-5-7-20(14)2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 348.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 70750574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).