4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide

C16H22IN3O2 — CID 163282640

IUPAC4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)C=CCN1CCCC(Oc2ccc(I)cn2)C1
InChIInChI=1S/C16H22IN3O2/c1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3
InChIKeyGWDYASWGBPOGOB-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.17
Rot. Bonds5

About 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide

4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide (PubChem CID 163282640) has the molecular formula C16H22IN3O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
PubChem CID163282640
Molecular FormulaC16H22IN3O2
Molecular Weight415.28 g/mol
Exact Mass415.08
IUPAC Name4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)C=CCN1CCCC(Oc2ccc(I)cn2)C1
InChIInChI=1S/C16H22IN3O2/c1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3
InChIKeyGWDYASWGBPOGOB-UHFFFAOYSA-N
XLogP2.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide 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,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 175200582
(E)-N,N-dimethyl-4-[(3S)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 163282649
(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[1-[(2R,3R)-3-fluorooxan-2-yl]indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 164929760
2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
CID 134521069
N-[5-[[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162769248
6-(2-chlorophenyl)-5-[4-[(3S)-1-[4-(dimethylamino)-4-oxobut-2-enyl]pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 175953313
5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine
CID 99637249
(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 155430037
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 141468398
(E)-1-morpholin-2-yl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-en-1-one
CID 175190114
2-[(5-iodo-2-pyridinyl)oxy]ethyl-[(E)-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]carbamic acid
CID 134519276

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The IUPAC name of 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide (CID 163282640) is 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide.
What is the SMILES notation for 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The canonical SMILES for 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide is CN(C)C(=O)C=CCN1CCCC(Oc2ccc(I)cn2)C1.
What is the InChIKey of 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The InChIKey is GWDYASWGBPOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN3O2/c1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3.
What are the key properties of 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide has a molecular weight of 415.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 163282640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).