cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone

C25H27FN2O3S — CID 161305463

IUPACcyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CC3)CC2)c2cc(CS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C25H27FN2O3S/c1-27-15-23(18-10-12-28(13-11-18)25(29)19-3-4-19)22-14-17(2-9-24(22)27)16-32(30,31)21-7-5-20(26)6-8-21/h2,5-9,14-15,18-19H,3-4,10-13,16H2,1H3
InChIKeyVIEMQLLGPRUAPP-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.41
Rot. Bonds5

About cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone (PubChem CID 161305463) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
PubChem CID161305463
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC Namecyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CC3)CC2)c2cc(CS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C25H27FN2O3S/c1-27-15-23(18-10-12-28(13-11-18)25(29)19-3-4-19)22-14-17(2-9-24(22)27)16-32(30,31)21-7-5-20(26)6-8-21/h2,5-9,14-15,18-19H,3-4,10-13,16H2,1H3
InChIKeyVIEMQLLGPRUAPP-UHFFFAOYSA-N
XLogP4.41
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
CID 149106216
cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 159960743
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole
CID 158114327
N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443179
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole
CID 160502368
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone (CID 161305463) is cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)C3CC3)CC2)c2cc(CS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VIEMQLLGPRUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-27-15-23(18-10-12-28(13-11-18)25(29)19-3-4-19)22-14-17(2-9-24(22)27)16-32(30,31)21-7-5-20(26)6-8-21/h2,5-9,14-15,18-19H,3-4,10-13,16H2,1H3.
What are the key properties of cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone has a molecular weight of 454.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 161305463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).