(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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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).