cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone

C24H32N2O3S — CID 149156429

IUPACcyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C24H32N2O3S/c1-25-15-22(18-10-12-26(13-11-18)24(27)19-4-2-3-5-19)21-14-17(6-9-23(21)25)16-30(28,29)20-7-8-20/h6,9,14-15,18-20H,2-5,7-8,10-13,16H2,1H3
InChIKeyRQESRSGYZKASKN-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.15
Rot. Bonds5

About cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone (PubChem CID 149156429) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
PubChem CID149156429
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Namecyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C24H32N2O3S/c1-25-15-22(18-10-12-26(13-11-18)24(27)19-4-2-3-5-19)21-14-17(6-9-23(21)25)16-30(28,29)20-7-8-20/h6,9,14-15,18-20H,2-5,7-8,10-13,16H2,1H3
InChIKeyRQESRSGYZKASKN-UHFFFAOYSA-N
XLogP4.15
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.15
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
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole
CID 158114327
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide
CID 67869137
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
5-chloro-3-cyclohexyl-1-methylindole
CID 135084055

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone (CID 149156429) is cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)C3CC3)ccc21.
What is the InChIKey of cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RQESRSGYZKASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-25-15-22(18-10-12-26(13-11-18)24(27)19-4-2-3-5-19)21-14-17(6-9-23(21)25)16-30(28,29)20-7-8-20/h6,9,14-15,18-20H,2-5,7-8,10-13,16H2,1H3.
What are the key properties of cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone has a molecular weight of 428.60 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 149156429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).