[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone

C24H35N3O2 — CID 119397296

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
SMILESCNCC1CCCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)C1
InChIInChI=1S/C24H35N3O2/c1-17-14-19-9-3-6-12-22(19)27(17)24(29)21-11-5-4-10-20(21)23(28)26-13-7-8-18(16-26)15-25-2/h3,6,9,12,17-18,20-21,25H,4-5,7-8,10-11,13-16H2,1-2H3
InChIKeyYDACNDIOSUFUEF-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.23
Rot. Bonds4

About [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone

[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone (PubChem CID 119397296) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
PubChem CID119397296
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
SMILESCNCC1CCCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)C1
InChIInChI=1S/C24H35N3O2/c1-17-14-19-9-3-6-12-22(19)27(17)24(29)21-11-5-4-10-20(21)23(28)26-13-7-8-18(16-26)15-25-2/h3,6,9,12,17-18,20-21,25H,4-5,7-8,10-11,13-16H2,1-2H3
InChIKeyYDACNDIOSUFUEF-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
CID 119519283
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119397312
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 119447503
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone (CID 119397296) is [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone is CNCC1CCCN(C(=O)C2CCCCC2C(=O)N2c3ccccc3CC2C)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The InChIKey is YDACNDIOSUFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17-14-19-9-3-6-12-22(19)27(17)24(29)21-11-5-4-10-20(21)23(28)26-13-7-8-18(16-26)15-25-2/h3,6,9,12,17-18,20-21,25H,4-5,7-8,10-11,13-16H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone has a molecular weight of 397.56 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone is sourced from PubChem (CID 119397296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).