[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C20H22N2O2S — CID 27260871

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O2S/c1-14-13-16-5-2-3-6-17(16)22(14)19(23)15-8-10-21(11-9-15)20(24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyQWAUGJQYVYVFQZ-CQSZACIVSA-N
MW354.48 g/mol
LogP3.58
Rot. Bonds2

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 27260871) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID27260871
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O2S/c1-14-13-16-5-2-3-6-17(16)22(14)19(23)15-8-10-21(11-9-15)20(24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyQWAUGJQYVYVFQZ-CQSZACIVSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
(3R)-2-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39964905
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 27260871) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is QWAUGJQYVYVFQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-13-16-5-2-3-6-17(16)22(14)19(23)15-8-10-21(11-9-15)20(24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 27260871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).