1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C21H24N2O2S — CID 113008488

IUPAC1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H24N2O2S/c1-15-13-17-5-2-3-7-19(17)23(15)21(25)16-8-10-22(11-9-16)20(24)14-18-6-4-12-26-18/h2-7,12,15-16H,8-11,13-14H2,1H3
InChIKeyFHDBSQXAQJMQSI-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.51
Rot. Bonds3

About 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 113008488) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID113008488
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H24N2O2S/c1-15-13-17-5-2-3-7-19(17)23(15)21(25)16-8-10-22(11-9-16)20(24)14-18-6-4-12-26-18/h2-7,12,15-16H,8-11,13-14H2,1H3
InChIKeyFHDBSQXAQJMQSI-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113004944
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 43550152
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 113008488) is 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone is CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FHDBSQXAQJMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-13-17-5-2-3-7-19(17)23(15)21(25)16-8-10-22(11-9-16)20(24)14-18-6-4-12-26-18/h2-7,12,15-16H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 368.50 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 113008488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).