(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone

C22H30N2O — CID 130269728

IUPAC(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone
SMILESCC12CC3CC(C(=O)N4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c1-20-11-17-12-21(14-20,18-5-3-2-4-6-18)16-22(13-17,15-20)19(25)24-9-7-23-8-10-24/h2-6,17,23H,7-16H2,1H3
InChIKeyGMWTVSKWEZQWHW-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.35
Rot. Bonds2

About (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone

(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone (PubChem CID 130269728) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone
PubChem CID130269728
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone
SMILESCC12CC3CC(C(=O)N4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c1-20-11-17-12-21(14-20,18-5-3-2-4-6-18)16-22(13-17,15-20)19(25)24-9-7-23-8-10-24/h2-6,17,23H,7-16H2,1H3
InChIKeyGMWTVSKWEZQWHW-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone 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-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone (CID 130269728) is (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone is CC12CC3CC(C(=O)N4CCNCC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone?
The InChIKey is GMWTVSKWEZQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-20-11-17-12-21(14-20,18-5-3-2-4-6-18)16-22(13-17,15-20)19(25)24-9-7-23-8-10-24/h2-6,17,23H,7-16H2,1H3.
What are the key properties of (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone?
(3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone has a molecular weight of 338.50 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 130269728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).