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

C16H24N6O2S — CID 70734464

IUPAC1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSc2n[nH]c(C)n2)C1
InChIInChI=1S/C16H24N6O2S/c1-12-18-16(20-19-12)25-11-14(23)22-6-3-4-13(10-22)15-17-5-7-21(15)8-9-24-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,18,19,20)
InChIKeyNLXTYWCTZXJIHW-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.45
Rot. Bonds7

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

1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 70734464) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID70734464
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSc2n[nH]c(C)n2)C1
InChIInChI=1S/C16H24N6O2S/c1-12-18-16(20-19-12)25-11-14(23)22-6-3-4-13(10-22)15-17-5-7-21(15)8-9-24-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,18,19,20)
InChIKeyNLXTYWCTZXJIHW-UHFFFAOYSA-N
XLogP1.45
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72914097
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}piperidine
CID 72919239
N,N-dimethyl-3-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72888327
1-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726341
(1-methyl-1H-imidazol-2-yl)(1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}-3-piperidinyl)methanone
CID 70750574
1-{[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetyl}-3-(1H-imidazol-2-yl)piperidine
CID 70766089
3-(3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}-3-oxopropyl)-1H-1,2,4-triazol-5-amine
CID 70777200
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 70777881
4-imidazol-1-yl-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]butan-1-one
CID 71872813
4-(2-methylimidazol-1-yl)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]butan-1-one
CID 71872862
3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-[(methylthio)acetyl]piperidine
CID 72859800

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 70734464) is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is COCCn1ccnc1C1CCCN(C(=O)CSc2n[nH]c(C)n2)C1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is NLXTYWCTZXJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12-18-16(20-19-12)25-11-14(23)22-6-3-4-13(10-22)15-17-5-7-21(15)8-9-24-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 364.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 70734464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).