1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

C26H34N2O — CID 10293794

IUPAC1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
InChIKeyJRECAXBHMULNJQ-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.52
Rot. Bonds4

About 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 10293794) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID10293794
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
InChIKeyJRECAXBHMULNJQ-UHFFFAOYSA-N
XLogP5.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 10293794) is 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is CN1CCCCC1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is JRECAXBHMULNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3.
What are the key properties of 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 390.57 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 10293794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).