1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one

C24H33NO — CID 149442606

IUPAC1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(CC1CCNCC1)CC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H33NO/c26-23(15-17-6-8-25-9-7-17)16-24(20-4-2-1-3-5-20)21-11-18-10-19(13-21)14-22(24)12-18/h1-5,17-19,21-22,25H,6-16H2
InChIKeyYWAYTXKNVVQKFE-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.73
Rot. Bonds5

About 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one

1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one (PubChem CID 149442606) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one
PubChem CID149442606
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(CC1CCNCC1)CC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H33NO/c26-23(15-17-6-8-25-9-7-17)16-24(20-4-2-1-3-5-20)21-11-18-10-19(13-21)14-22(24)12-18/h1-5,17-19,21-22,25H,6-16H2
InChIKeyYWAYTXKNVVQKFE-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one (CID 149442606) is 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one is O=C(CC1CCNCC1)CC1(c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is YWAYTXKNVVQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c26-23(15-17-6-8-25-9-7-17)16-24(20-4-2-1-3-5-20)21-11-18-10-19(13-21)14-22(24)12-18/h1-5,17-19,21-22,25H,6-16H2.
What are the key properties of 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one?
1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 351.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-adamantyl)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 149442606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).