[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone

C16H22N2O — CID 96596406

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-3-4-8-15(13)18(12)16(19)14-7-5-9-17(2)11-14/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyKQPIBFWLXXQLNF-GXTWGEPZSA-N
MW258.36 g/mol
LogP2.31
Rot. Bonds1

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone (PubChem CID 96596406) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
PubChem CID96596406
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-3-4-8-15(13)18(12)16(19)14-7-5-9-17(2)11-14/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyKQPIBFWLXXQLNF-GXTWGEPZSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone (CID 96596406) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C)C1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone?
The InChIKey is KQPIBFWLXXQLNF-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-13-6-3-4-8-15(13)18(12)16(19)14-7-5-9-17(2)11-14/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone has a molecular weight of 258.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 96596406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).