3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide

C13H27N3O — CID 55121687

IUPAC3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide
SMILESCCNCCC(=O)NCC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-14-8-5-13(17)15-11-12-6-9-16(4-2)10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyQYXIPRPMRAESEQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide

3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide (PubChem CID 55121687) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide
PubChem CID55121687
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide
SMILESCCNCCC(=O)NCC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-14-8-5-13(17)15-11-12-6-9-16(4-2)10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyQYXIPRPMRAESEQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide 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-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
3-(ethylamino)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66005719
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide (CID 55121687) is 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide is CCNCCC(=O)NCC1CCN(CC)CC1.
What is the InChIKey of 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide?
The InChIKey is QYXIPRPMRAESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-14-8-5-13(17)15-11-12-6-9-16(4-2)10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide?
3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 55121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).