1-adamantyl-(4-methylpiperidin-1-yl)methanone

C17H27NO — CID 2836991

IUPAC1-adamantyl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H27NO/c1-12-2-4-18(5-3-12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyLLZDWBMUURUCQW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds1

About 1-adamantyl-(4-methylpiperidin-1-yl)methanone

1-adamantyl-(4-methylpiperidin-1-yl)methanone (PubChem CID 2836991) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-adamantyl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methylpiperidin-1-yl)methanone
PubChem CID2836991
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-adamantyl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H27NO/c1-12-2-4-18(5-3-12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyLLZDWBMUURUCQW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-adamantyl-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methylpiperidin-1-yl)methanone (CID 2836991) is 1-adamantyl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LLZDWBMUURUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-2-4-18(5-3-12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-adamantyl-(4-methylpiperidin-1-yl)methanone?
1-adamantyl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 261.41 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2836991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).