2-(1-adamantyl)-1-piperidin-1-ylethanone

C17H27NO — CID 2829890

IUPAC2-(1-adamantyl)-1-piperidin-1-ylethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C17H27NO/c19-16(18-4-2-1-3-5-18)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2
InChIKeyUDJDLJGWFAENLZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds2

About 2-(1-adamantyl)-1-piperidin-1-ylethanone

2-(1-adamantyl)-1-piperidin-1-ylethanone (PubChem CID 2829890) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-piperidin-1-ylethanone
PubChem CID2829890
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(1-adamantyl)-1-piperidin-1-ylethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C17H27NO/c19-16(18-4-2-1-3-5-18)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2
InChIKeyUDJDLJGWFAENLZ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-adamantyl)-1-piperidin-1-ylethanone (CID 2829890) is 2-(1-adamantyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-adamantyl)-1-piperidin-1-ylethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCCC1.
What is the InChIKey of 2-(1-adamantyl)-1-piperidin-1-ylethanone?
The InChIKey is UDJDLJGWFAENLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-16(18-4-2-1-3-5-18)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2.
What are the key properties of 2-(1-adamantyl)-1-piperidin-1-ylethanone?
2-(1-adamantyl)-1-piperidin-1-ylethanone has a molecular weight of 261.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 2829890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).