N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide

C20H28N2O — CID 166228361

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC1CC(NC(=O)CC2C=CCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-16-13-19(21-20(23)14-17-7-5-6-8-17)11-12-22(16)15-18-9-3-2-4-10-18/h2-5,7,9-10,16-17,19H,6,8,11-15H2,1H3,(H,21,23)
InChIKeyQHNCYMBLWJRIRF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.51
Rot. Bonds5

About N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide

N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 166228361) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID166228361
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC1CC(NC(=O)CC2C=CCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-16-13-19(21-20(23)14-17-7-5-6-8-17)11-12-22(16)15-18-9-3-2-4-10-18/h2-5,7,9-10,16-17,19H,6,8,11-15H2,1H3,(H,21,23)
InChIKeyQHNCYMBLWJRIRF-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide 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

2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 109458992
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide (CID 166228361) is N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide is CC1CC(NC(=O)CC2C=CCC2)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is QHNCYMBLWJRIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16-13-19(21-20(23)14-17-7-5-6-8-17)11-12-22(16)15-18-9-3-2-4-10-18/h2-5,7,9-10,16-17,19H,6,8,11-15H2,1H3,(H,21,23).
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 312.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 166228361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).