2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone

C15H26N2O — CID 104597165

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCC3CCCCC32)CCCCN1
InChIInChI=1S/C15H26N2O/c1-15(9-4-5-10-16-15)14(18)17-11-8-12-6-2-3-7-13(12)17/h12-13,16H,2-11H2,1H3
InChIKeyAEAPQSITYJPGCF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone (PubChem CID 104597165) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
PubChem CID104597165
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCC3CCCCC32)CCCCN1
InChIInChI=1S/C15H26N2O/c1-15(9-4-5-10-16-15)14(18)17-11-8-12-6-2-3-7-13(12)17/h12-13,16H,2-11H2,1H3
InChIKeyAEAPQSITYJPGCF-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 107217940
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
CID 130991613
2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 113430815
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 82746412
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
CID 82746951
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide
CID 104596076

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone (CID 104597165) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)N2CCC3CCCCC32)CCCCN1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone?
The InChIKey is AEAPQSITYJPGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(9-4-5-10-16-15)14(18)17-11-8-12-6-2-3-7-13(12)17/h12-13,16H,2-11H2,1H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 104597165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).