3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C22H36N2O — CID 26332647

IUPAC3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCN(C23CC4CC(CC(C4)C2)C3)CC1)N1CCCC1
InChIInChI=1S/C22H36N2O/c25-21(23-7-1-2-8-23)4-3-17-5-9-24(10-6-17)22-14-18-11-19(15-22)13-20(12-18)16-22/h17-20H,1-16H2
InChIKeyUESOGEFVMUBQFB-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.07
Rot. Bonds4

About 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 26332647) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID26332647
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCN(C23CC4CC(CC(C4)C2)C3)CC1)N1CCCC1
InChIInChI=1S/C22H36N2O/c25-21(23-7-1-2-8-23)4-3-17-5-9-24(10-6-17)22-14-18-11-19(15-22)13-20(12-18)16-22/h17-20H,1-16H2
InChIKeyUESOGEFVMUBQFB-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one 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 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 26332647) is 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCN(C23CC4CC(CC(C4)C2)C3)CC1)N1CCCC1.
What is the InChIKey of 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UESOGEFVMUBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c25-21(23-7-1-2-8-23)4-3-17-5-9-24(10-6-17)22-14-18-11-19(15-22)13-20(12-18)16-22/h17-20H,1-16H2.
What are the key properties of 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 344.54 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 26332647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).