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

C15H25N3O3S — CID 95341954

IUPAC1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2ccnc2CC)C1
InChIInChI=1S/C15H25N3O3S/c1-3-10-22(20,21)12-15(19)17-8-5-6-13(11-17)18-9-7-16-14(18)4-2/h7,9,13H,3-6,8,10-12H2,1-2H3/t13-/m1/s1
InChIKeySVOFEFAIZRTPGZ-CYBMUJFWSA-N
MW327.45 g/mol
LogP1.43
Rot. Bonds6

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

1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone (PubChem CID 95341954) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
PubChem CID95341954
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2ccnc2CC)C1
InChIInChI=1S/C15H25N3O3S/c1-3-10-22(20,21)12-15(19)17-8-5-6-13(11-17)18-9-7-16-14(18)4-2/h7,9,13H,3-6,8,10-12H2,1-2H3/t13-/m1/s1
InChIKeySVOFEFAIZRTPGZ-CYBMUJFWSA-N
XLogP1.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.43
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-ethylsulfonylethanone
CID 95343440
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
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
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
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-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone?
The IUPAC name of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone (CID 95341954) is 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone.
What is the SMILES notation for 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone?
The canonical SMILES for 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2ccnc2CC)C1.
What is the InChIKey of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone?
The InChIKey is SVOFEFAIZRTPGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-10-22(20,21)12-15(19)17-8-5-6-13(11-17)18-9-7-16-14(18)4-2/h7,9,13H,3-6,8,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone?
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone has a molecular weight of 327.45 g/mol, XLogP of 1.43, 6 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-propylsulfonylethanone is sourced from PubChem (CID 95341954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).