1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

C16H20N2O2 — CID 94658936

IUPAC1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-3-2-8-18(10-12)16(19)14-5-4-13-6-7-17-15(13)9-14/h4-7,9,12,17H,2-3,8,10-11H2,1H3/t12-/m1/s1
InChIKeyAYQAWGATIOZIQQ-GFCCVEGCSA-N
MW272.35 g/mol
LogP2.67
Rot. Bonds3

About 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 94658936) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID94658936
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-3-2-8-18(10-12)16(19)14-5-4-13-6-7-17-15(13)9-14/h4-7,9,12,17H,2-3,8,10-11H2,1H3/t12-/m1/s1
InChIKeyAYQAWGATIOZIQQ-GFCCVEGCSA-N
XLogP2.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 118760930

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 94658936) is 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is AYQAWGATIOZIQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-11-12-3-2-8-18(10-12)16(19)14-5-4-13-6-7-17-15(13)9-14/h4-7,9,12,17H,2-3,8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 94658936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).