2-adamantyl(piperidin-1-yl)methanone

C16H25NO — CID 9450114

IUPAC2-adamantyl(piperidin-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C16H25NO/c18-16(17-4-2-1-3-5-17)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
InChIKeyAHSGKCRVZWMWDM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds1

About 2-adamantyl(piperidin-1-yl)methanone

2-adamantyl(piperidin-1-yl)methanone (PubChem CID 9450114) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-adamantyl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name2-adamantyl(piperidin-1-yl)methanone
PubChem CID9450114
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-adamantyl(piperidin-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C16H25NO/c18-16(17-4-2-1-3-5-17)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
InChIKeyAHSGKCRVZWMWDM-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-adamantyl(piperidin-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 2-adamantyl(piperidin-1-yl)methanone?
The IUPAC name of 2-adamantyl(piperidin-1-yl)methanone (CID 9450114) is 2-adamantyl(piperidin-1-yl)methanone.
What is the SMILES notation for 2-adamantyl(piperidin-1-yl)methanone?
The canonical SMILES for 2-adamantyl(piperidin-1-yl)methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCCCC1.
What is the InChIKey of 2-adamantyl(piperidin-1-yl)methanone?
The InChIKey is AHSGKCRVZWMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(17-4-2-1-3-5-17)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2.
What are the key properties of 2-adamantyl(piperidin-1-yl)methanone?
2-adamantyl(piperidin-1-yl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(piperidin-1-yl)methanone is sourced from PubChem (CID 9450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).