2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C16H25N3O3S — CID 56802310

IUPAC2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H25N3O3S/c20-16(13-23(21,22)15-7-1-2-8-15)19-11-4-3-6-14(19)12-18-10-5-9-17-18/h5,9-10,14-15H,1-4,6-8,11-13H2
InChIKeyLPWPTHRXRNYXMV-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds5

About 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 56802310) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID56802310
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H25N3O3S/c20-16(13-23(21,22)15-7-1-2-8-15)19-11-4-3-6-14(19)12-18-10-5-9-17-18/h5,9-10,14-15H,1-4,6-8,11-13H2
InChIKeyLPWPTHRXRNYXMV-UHFFFAOYSA-N
XLogP1.62
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2-cyclopentylsulfonyl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56802359
2-cyclopentylsulfonyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95605681
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607603
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride
CID 119466764
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602617
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602618
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95348225
(2S)-2-methylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603761

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 56802310) is 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is O=C(CS(=O)(=O)C1CCCC1)N1CCCCC1Cn1cccn1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is LPWPTHRXRNYXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-16(13-23(21,22)15-7-1-2-8-15)19-11-4-3-6-14(19)12-18-10-5-9-17-18/h5,9-10,14-15H,1-4,6-8,11-13H2.
What are the key properties of 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).