(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone

C22H29NO — CID 2953793

IUPAC(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2
InChIKeyGRJCFVZPAQAKFW-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.54
Rot. Bonds2

About (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone

(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone (PubChem CID 2953793) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone
PubChem CID2953793
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2
InChIKeyGRJCFVZPAQAKFW-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone (CID 2953793) is (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone?
The InChIKey is GRJCFVZPAQAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2.
What are the key properties of (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone?
(3-phenyl-1-adamantyl)-piperidin-1-ylmethanone has a molecular weight of 323.48 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-adamantyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2953793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).