(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone

C16H22N2O — CID 24698122

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
SMILESCC1CCCC(C(=O)N2c3ccccc3CC2C)N1
InChIInChI=1S/C16H22N2O/c1-11-6-5-8-14(17-11)16(19)18-12(2)10-13-7-3-4-9-15(13)18/h3-4,7,9,11-12,14,17H,5-6,8,10H2,1-2H3
InChIKeyQAYSXIZJWVUDLV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone (PubChem CID 24698122) 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)-(6-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
PubChem CID24698122
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
SMILESCC1CCCC(C(=O)N2c3ccccc3CC2C)N1
InChIInChI=1S/C16H22N2O/c1-11-6-5-8-14(17-11)16(19)18-12(2)10-13-7-3-4-9-15(13)18/h3-4,7,9,11-12,14,17H,5-6,8,10H2,1-2H3
InChIKeyQAYSXIZJWVUDLV-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone (CID 24698122) is (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone is CC1CCCC(C(=O)N2c3ccccc3CC2C)N1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone?
The InChIKey is QAYSXIZJWVUDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-5-8-14(17-11)16(19)18-12(2)10-13-7-3-4-9-15(13)18/h3-4,7,9,11-12,14,17H,5-6,8,10H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.49, 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)-(6-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 24698122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).