2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C19H31N3OS — CID 71781075

IUPAC2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)CSC2CCCC2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(2)19-20-9-12-22(19)13-16-7-10-21(11-8-16)18(23)14-24-17-5-3-4-6-17/h9,12,15-17H,3-8,10-11,13-14H2,1-2H3
InChIKeyXFORXHRBTTYCCH-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 71781075) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID71781075
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)CSC2CCCC2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(2)19-20-9-12-22(19)13-16-7-10-21(11-8-16)18(23)14-24-17-5-3-4-6-17/h9,12,15-17H,3-8,10-11,13-14H2,1-2H3
InChIKeyXFORXHRBTTYCCH-UHFFFAOYSA-N
XLogP3.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 53595147
3-Cyclopentylsulfonyl-1-(3-imidazol-1-ylpiperidin-1-yl)propan-1-one
CID 53618221
2-Methylsulfanyl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779778
3-(1H-imidazol-2-yl)-1-[3-(methylthio)propanoyl]piperidine
CID 70723520
1-{[(cyclopropylmethyl)thio]acetyl}-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70784281
N,N-dimethyl-2-(2-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-imidazol-1-yl)ethanamine
CID 72898928
1-{3-[(1-Methylimidazol-2-YL)methyl]piperidin-1-YL}ethanone
CID 110269228
1-[4-[(2-Ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 56724024
1-(4-((1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-(cyclopentylthio)ethanone
CID 56763949
cyclobutyl(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)methanone
CID 71800874
1-{[(cyclopropylmethyl)thio]acetyl}-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72887826
1-[2-(1-Ethylimidazol-2-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177681133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 71781075) is 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is CC(C)c1nccn1CC1CCN(C(=O)CSC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is XFORXHRBTTYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(2)19-20-9-12-22(19)13-16-7-10-21(11-8-16)18(23)14-24-17-5-3-4-6-17/h9,12,15-17H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 349.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71781075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).