N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide

C18H31N3O2 — CID 56712773

IUPACN-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESC/C=C/CN1CCC=C(CN2CCC(NC(=O)COC)CC2)C1
InChIInChI=1S/C18H31N3O2/c1-3-4-9-20-10-5-6-16(13-20)14-21-11-7-17(8-12-21)19-18(22)15-23-2/h3-4,6,17H,5,7-15H2,1-2H3,(H,19,22)/b4-3+
InChIKeyPUNQBLJJDUUJKA-ONEGZZNKSA-N
MW321.46 g/mol
LogP1.42
Rot. Bonds7

About N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide

N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 56712773) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID56712773
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESC/C=C/CN1CCC=C(CN2CCC(NC(=O)COC)CC2)C1
InChIInChI=1S/C18H31N3O2/c1-3-4-9-20-10-5-6-16(13-20)14-21-11-7-17(8-12-21)19-18(22)15-23-2/h3-4,6,17H,5,7-15H2,1-2H3,(H,19,22)/b4-3+
InChIKeyPUNQBLJJDUUJKA-ONEGZZNKSA-N
XLogP1.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide 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-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
N-{1-[1-(2-azepan-1-ylethyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}-2-methoxyacetamide
CID 56700979
2-methoxy-N-[3-methyl-1-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)butyl]acetamide
CID 56708684
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexa-1,5-diene-1-carboxamide
CID 91487200
4-(4-Aminocyclohex-2-en-1-yl)morpholin-3-one
CID 129065303
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
CID 134406135
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518094
(E)-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518243
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen
CID 156798942
(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide
CID 156883214
1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone
CID 167513188

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide (CID 56712773) is N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide is C/C=C/CN1CCC=C(CN2CCC(NC(=O)COC)CC2)C1.
What is the InChIKey of N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is PUNQBLJJDUUJKA-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-3-4-9-20-10-5-6-16(13-20)14-21-11-7-17(8-12-21)19-18(22)15-23-2/h3-4,6,17H,5,7-15H2,1-2H3,(H,19,22)/b4-3+.
What are the key properties of N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 321.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 56712773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).