[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone

C27H32N2O3S — CID 149106216

IUPAC[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C27H32N2O3S/c1-28-18-25(21-13-15-29(16-14-21)27(30)22-7-5-6-8-22)24-17-20(11-12-26(24)28)19-33(31,32)23-9-3-2-4-10-23/h2-4,9-12,17-18,21-22H,5-8,13-16,19H2,1H3
InChIKeyQVSHTPBHDBXXCM-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.05
Rot. Bonds5

About [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone

[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 149106216) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID149106216
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C27H32N2O3S/c1-28-18-25(21-13-15-29(16-14-21)27(30)22-7-5-6-8-22)24-17-20(11-12-26(24)28)19-33(31,32)23-9-3-2-4-10-23/h2-4,9-12,17-18,21-22H,5-8,13-16,19H2,1H3
InChIKeyQVSHTPBHDBXXCM-UHFFFAOYSA-N
XLogP5.05
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

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
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole
CID 158114327
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241

Frequently Asked Questions

What is the IUPAC name of [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone (CID 149106216) is [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is QVSHTPBHDBXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-28-18-25(21-13-15-29(16-14-21)27(30)22-7-5-6-8-22)24-17-20(11-12-26(24)28)19-33(31,32)23-9-3-2-4-10-23/h2-4,9-12,17-18,21-22H,5-8,13-16,19H2,1H3.
What are the key properties of [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone?
[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 464.63 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 149106216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).