2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C17H27N3O2S — CID 70784281

IUPAC2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSCC2CC2)C1
InChIInChI=1S/C17H27N3O2S/c1-22-10-9-19-8-6-18-17(19)15-3-2-7-20(11-15)16(21)13-23-12-14-4-5-14/h6,8,14-15H,2-5,7,9-13H2,1H3
InChIKeyGELWYGDNRWSINB-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.38
Rot. Bonds8

About 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 70784281) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID70784281
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)CSCC2CC2)C1
InChIInChI=1S/C17H27N3O2S/c1-22-10-9-19-8-6-18-17(19)15-3-2-7-20(11-15)16(21)13-23-12-14-4-5-14/h6,8,14-15H,2-5,7,9-13H2,1H3
InChIKeyGELWYGDNRWSINB-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfanyl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779778
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
N,N-dimethyl-2-(2-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-imidazol-1-yl)ethanamine
CID 72898928
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(ethoxyacetyl)piperidine
CID 72937922
2-(cyclopentylthio)-1-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)ethanone
CID 71781075
2-ethoxy-1-(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)ethanone
CID 71800831
3-(1-methyl-1H-imidazol-2-yl)-1-[(methylthio)acetyl]piperidine
CID 70710411
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(methylthio)acetyl]piperidine
CID 72845393
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70724193
4,4,4-trifluoro-1-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 97119482
4,4,4-trifluoro-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 97119483
2-Methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 52992566

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 70784281) is 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is COCCn1ccnc1C1CCCN(C(=O)CSCC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GELWYGDNRWSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-22-10-9-19-8-6-18-17(19)15-3-2-7-20(11-15)16(21)13-23-12-14-4-5-14/h6,8,14-15H,2-5,7,9-13H2,1H3.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 337.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70784281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).