[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C22H31N3O3S — CID 93306232

IUPAC[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC[C@H](C)C4)C3)ccc21
InChIInChI=1S/C22H31N3O3S/c1-3-23-13-10-18-14-20(8-9-21(18)23)29(27,28)25-12-5-7-19(16-25)22(26)24-11-4-6-17(2)15-24/h8-10,13-14,17,19H,3-7,11-12,15-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyMCWROQGCTSFYFI-PKOBYXMFSA-N
MW417.58 g/mol
LogP3.32
Rot. Bonds4

About [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 93306232) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID93306232
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC[C@H](C)C4)C3)ccc21
InChIInChI=1S/C22H31N3O3S/c1-3-23-13-10-18-14-20(8-9-21(18)23)29(27,28)25-12-5-7-19(16-25)22(26)24-11-4-6-17(2)15-24/h8-10,13-14,17,19H,3-7,11-12,15-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyMCWROQGCTSFYFI-PKOBYXMFSA-N
XLogP3.32
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
CID 92502198
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 93306232) is [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC[C@H](C)C4)C3)ccc21.
What is the InChIKey of [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is MCWROQGCTSFYFI-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-3-23-13-10-18-14-20(8-9-21(18)23)29(27,28)25-12-5-7-19(16-25)22(26)24-11-4-6-17(2)15-24/h8-10,13-14,17,19H,3-7,11-12,15-16H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 417.58 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 93306232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).