N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide

C14H25N3O — CID 21383086

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C14H25N3O/c1-16-4-6-17(7-5-16)10-14(18)15-13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,15,18)
InChIKeyRNGKUJHYOQEFMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 21383086) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID21383086
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C14H25N3O/c1-16-4-6-17(7-5-16)10-14(18)15-13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,15,18)
InChIKeyRNGKUJHYOQEFMI-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24845342
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 98124247
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 40823711
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 21383086) is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is RNGKUJHYOQEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-4-6-17(7-5-16)10-14(18)15-13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 21383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).