N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide

C17H31N3O2 — CID 50961460

IUPACN-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
SMILESCCOCCN1CCC=C(CN2CCCC(NC(C)=O)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21)
InChIKeyLFYDOARVBQYEAJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.26
Rot. Bonds7

About N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide

N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 50961460) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
PubChem CID50961460
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
SMILESCCOCCN1CCC=C(CN2CCCC(NC(C)=O)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21)
InChIKeyLFYDOARVBQYEAJ-UHFFFAOYSA-N
XLogP1.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-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

(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 53616075
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345326
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 2224636
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 5018134
N-[(1-{2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50952420
(Z)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)pent-2-enamide
CID 51080936
N-[1-({1-[(2E)-but-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]-2-methoxyacetamide
CID 56712773
3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 54284487
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
CID 54345373
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 72671758

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide (CID 50961460) is N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide is CCOCCN1CCC=C(CN2CCCC(NC(C)=O)C2)C1.
What is the InChIKey of N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is LFYDOARVBQYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 50961460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).