1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

C18H23N3O3S — CID 72896741

IUPAC1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCn1ccnc1C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H23N3O3S/c1-20-12-9-19-18(20)15-7-10-21(11-8-15)17(22)13-14-3-5-16(6-4-14)25(2,23)24/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyKAAPKFJEUNHHIX-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.77
Rot. Bonds4

About 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone (PubChem CID 72896741) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
PubChem CID72896741
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCn1ccnc1C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H23N3O3S/c1-20-12-9-19-18(20)15-7-10-21(11-8-15)17(22)13-14-3-5-16(6-4-14)25(2,23)24/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyKAAPKFJEUNHHIX-UHFFFAOYSA-N
XLogP1.77
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
4-ethyl-3-[1-[2-(4-methylsulfonylphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56722850
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-(4-methylsulfonylphenyl)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772429
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850811
2-(3-fluoro-4-hydroxyphenyl)-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70715056
1-(3-amino-1,2,4-triazol-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110486466

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone (CID 72896741) is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone is Cn1ccnc1C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The InChIKey is KAAPKFJEUNHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-12-9-19-18(20)15-7-10-21(11-8-15)17(22)13-14-3-5-16(6-4-14)25(2,23)24/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone has a molecular weight of 361.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 72896741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).