cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone

C27H31FN2O3S — CID 159960743

IUPACcyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C27H31FN2O3S/c1-29-17-23(20-12-14-30(15-13-20)27(31)21-6-2-3-7-21)22-16-19(10-11-25(22)29)18-34(32,33)26-9-5-4-8-24(26)28/h4-5,8-11,16-17,20-21H,2-3,6-7,12-15,18H2,1H3
InChIKeyODHGMEIGTWOBFI-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.19
Rot. Bonds5

About cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone (PubChem CID 159960743) has the molecular formula C27H31FN2O3S and a molecular weight of 482.62 g/mol. Its IUPAC name is cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
PubChem CID159960743
Molecular FormulaC27H31FN2O3S
Molecular Weight482.62 g/mol
Exact Mass482.20
IUPAC Namecyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C27H31FN2O3S/c1-29-17-23(20-12-14-30(15-13-20)27(31)21-6-2-3-7-21)22-16-19(10-11-25(22)29)18-34(32,33)26-9-5-4-8-24(26)28/h4-5,8-11,16-17,20-21H,2-3,6-7,12-15,18H2,1H3
InChIKeyODHGMEIGTWOBFI-UHFFFAOYSA-N
XLogP5.19
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.19
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-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole
CID 158114327
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
CID 46103716
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone (CID 159960743) is cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
The InChIKey is ODHGMEIGTWOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O3S/c1-29-17-23(20-12-14-30(15-13-20)27(31)21-6-2-3-7-21)22-16-19(10-11-25(22)29)18-34(32,33)26-9-5-4-8-24(26)28/h4-5,8-11,16-17,20-21H,2-3,6-7,12-15,18H2,1H3.
What are the key properties of cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone has a molecular weight of 482.62 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159960743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).