(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone

C16H20N2O — CID 55226480

IUPAC(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-4-3-5-12(2)18(11)16(19)14-7-6-13-8-9-17-15(13)10-14/h6-12,17H,3-5H2,1-2H3
InChIKeyDXMMYZOMGPJPNY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.57
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone (PubChem CID 55226480) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
PubChem CID55226480
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-4-3-5-12(2)18(11)16(19)14-7-6-13-8-9-17-15(13)10-14/h6-12,17H,3-5H2,1-2H3
InChIKeyDXMMYZOMGPJPNY-UHFFFAOYSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
ethane;1H-indole-6-carboxylic acid
CID 142472960
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone (CID 55226480) is (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone?
The InChIKey is DXMMYZOMGPJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-4-3-5-12(2)18(11)16(19)14-7-6-13-8-9-17-15(13)10-14/h6-12,17H,3-5H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone is sourced from PubChem (CID 55226480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).