(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone

C16H22N2O — CID 63132696

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(C)CCCNC1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-3-4-7-14(13)18(12)15(19)16(2)8-5-9-17-11-16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyJTHZJXHNHJFVGF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 63132696) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
PubChem CID63132696
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(C)CCCNC1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-3-4-7-14(13)18(12)15(19)16(2)8-5-9-17-11-16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyJTHZJXHNHJFVGF-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63141049
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
4,7,7-trimethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2898180
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946184
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone (CID 63132696) is (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone is CC1Cc2ccccc2N1C(=O)C1(C)CCCNC1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is JTHZJXHNHJFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-13-6-3-4-7-14(13)18(12)15(19)16(2)8-5-9-17-11-16/h3-4,6-7,12,17H,5,8-11H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.35, 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)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 63132696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).