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

C15H20N2O — CID 81123977

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)13-6-4-8-16-10-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/t11?,13-/m1/s1
InChIKeyNCQGMKPOEJHWRJ-GLGOKHISSA-N
MW244.34 g/mol
LogP1.96
Rot. Bonds1

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

(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone (PubChem CID 81123977) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
PubChem CID81123977
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)13-6-4-8-16-10-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/t11?,13-/m1/s1
InChIKeyNCQGMKPOEJHWRJ-GLGOKHISSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371
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
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone (CID 81123977) is (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone is CC1Cc2ccccc2N1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone?
The InChIKey is NCQGMKPOEJHWRJ-GLGOKHISSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)13-6-4-8-16-10-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/t11?,13-/m1/s1.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone has a molecular weight of 244.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81123977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).