N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

C19H28N2O2 — CID 108947324

IUPACN-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-3-17-12-8-9-13-21(17)19(23)14-18(22)20(4-2)15-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-15H2,1-2H3
InChIKeyPQPHZWXUQVWNKU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108947324) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108947324
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-3-17-12-8-9-13-21(17)19(23)14-18(22)20(4-2)15-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-15H2,1-2H3
InChIKeyPQPHZWXUQVWNKU-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide 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

1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (CID 108947324) is N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is CCC1CCCCN1C(=O)CC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is PQPHZWXUQVWNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-17-12-8-9-13-21(17)19(23)14-18(22)20(4-2)15-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 316.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108947324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).