(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone

C18H29NO — CID 5014728

IUPAC(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCCC1)(C3)C2
InChIInChI=1S/C18H29NO/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(20)19-6-4-3-5-7-19/h14H,3-13H2,1-2H3
InChIKeyCQJQZZVKELIUGA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.00
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone

(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone (PubChem CID 5014728) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone
PubChem CID5014728
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCCC1)(C3)C2
InChIInChI=1S/C18H29NO/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(20)19-6-4-3-5-7-19/h14H,3-13H2,1-2H3
InChIKeyCQJQZZVKELIUGA-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone (CID 5014728) is (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone is CC12CC3CC(C)(C1)CC(C(=O)N1CCCCC1)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone?
The InChIKey is CQJQZZVKELIUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(20)19-6-4-3-5-7-19/h14H,3-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone?
(3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone has a molecular weight of 275.44 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 5014728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).