[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C18H22N4O3S — CID 126813423

IUPAC[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H22N4O3S/c1-20-13-19-11-17(20)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-16(14)22/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3
InChIKeyFIKVPKJXEPBDSV-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.42
Rot. Bonds3

About [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 126813423) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID126813423
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H22N4O3S/c1-20-13-19-11-17(20)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-16(14)22/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3
InChIKeyFIKVPKJXEPBDSV-UHFFFAOYSA-N
XLogP1.42
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 126807446
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
CID 75473861
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 75474114
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 126813423) is [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC(S(=O)(=O)N2CCc3ccccc32)C1.
What is the InChIKey of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is FIKVPKJXEPBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20-13-19-11-17(20)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-16(14)22/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3.
What are the key properties of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 374.47 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 126813423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).