N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide

C19H28N2O3 — CID 56752294

IUPACN-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
SMILESCOc1ccc(O)cc1CN1CCCC(CNC(=O)C=C(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-14(2)9-19(23)20-11-15-5-4-8-21(12-15)13-16-10-17(22)6-7-18(16)24-3/h6-7,9-10,15,22H,4-5,8,11-13H2,1-3H3,(H,20,23)
InChIKeyYGPAHCOEEORNJI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.70
Rot. Bonds6

About N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide

N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide (PubChem CID 56752294) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
PubChem CID56752294
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
SMILESCOc1ccc(O)cc1CN1CCCC(CNC(=O)C=C(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-14(2)9-19(23)20-11-15-5-4-8-21(12-15)13-16-10-17(22)6-7-18(16)24-3/h6-7,9-10,15,22H,4-5,8,11-13H2,1-3H3,(H,20,23)
InChIKeyYGPAHCOEEORNJI-UHFFFAOYSA-N
XLogP2.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 95189957
N-[[1-[(3-fluoro-2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
CID 56760689
2-hydroxy-N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 56710117
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
3-methyl-N-[[(3S)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]methyl]but-2-enamide
CID 95388387
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide (CID 56752294) is N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide is COc1ccc(O)cc1CN1CCCC(CNC(=O)C=C(C)C)C1.
What is the InChIKey of N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The InChIKey is YGPAHCOEEORNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)9-19(23)20-11-15-5-4-8-21(12-15)13-16-10-17(22)6-7-18(16)24-3/h6-7,9-10,15,22H,4-5,8,11-13H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide has a molecular weight of 332.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 56752294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).