1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone

C14H23N3O3S — CID 95343440

IUPAC1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)CC)C1
InChIInChI=1S/C14H23N3O3S/c1-3-13-15-7-9-17(13)12-6-5-8-16(10-12)14(18)11-21(19,20)4-2/h7,9,12H,3-6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyFDGMZWBDVSRZDX-GFCCVEGCSA-N
MW313.42 g/mol
LogP1.04
Rot. Bonds5

About 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone

1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone (PubChem CID 95343440) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
PubChem CID95343440
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)CC)C1
InChIInChI=1S/C14H23N3O3S/c1-3-13-15-7-9-17(13)12-6-5-8-16(10-12)14(18)11-21(19,20)4-2/h7,9,12H,3-6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyFDGMZWBDVSRZDX-GFCCVEGCSA-N
XLogP1.04
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
CID 86935391
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone?
The IUPAC name of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone (CID 95343440) is 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone.
What is the SMILES notation for 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone?
The canonical SMILES for 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone is CCc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)CC)C1.
What is the InChIKey of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone?
The InChIKey is FDGMZWBDVSRZDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-13-15-7-9-17(13)12-6-5-8-16(10-12)14(18)11-21(19,20)4-2/h7,9,12H,3-6,8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone?
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone has a molecular weight of 313.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone is sourced from PubChem (CID 95343440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).