N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide

C21H37N3O — CID 42695365

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCNCC1)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C21H37N3O/c1-4-5-6-20(25)24(14-13-23-11-9-22-10-12-23)16-17-7-8-18-15-19(17)21(18,2)3/h7,18-19,22H,4-6,8-16H2,1-3H3
InChIKeyWNGVSILLUBEWDY-UHFFFAOYSA-N
MW347.55 g/mol
LogP2.90
Rot. Bonds8

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide (PubChem CID 42695365) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide
PubChem CID42695365
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCNCC1)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C21H37N3O/c1-4-5-6-20(25)24(14-13-23-11-9-22-10-12-23)16-17-7-8-18-15-19(17)21(18,2)3/h7,18-19,22H,4-6,8-16H2,1-3H3
InChIKeyWNGVSILLUBEWDY-UHFFFAOYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide 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 N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide (CID 42695365) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide is CCCCC(=O)N(CCN1CCNCC1)CC1=CCC2CC1C2(C)C.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide?
The InChIKey is WNGVSILLUBEWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-4-5-6-20(25)24(14-13-23-11-9-22-10-12-23)16-17-7-8-18-15-19(17)21(18,2)3/h7,18-19,22H,4-6,8-16H2,1-3H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide has a molecular weight of 347.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-piperazin-1-ylethyl)pentanamide is sourced from PubChem (CID 42695365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).