1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone

C18H26N2O2 — CID 22038362

IUPAC1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3
InChIKeySEBGQNKQIHMJMK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone

1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone (PubChem CID 22038362) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
PubChem CID22038362
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3
InChIKeySEBGQNKQIHMJMK-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 113173356
N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline
CID 171831844
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
CID 116655319
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
CID 68857180
tert-butyl 4-[N-[[2-(3,4-dimethoxy-5-methylphenyl)-4-pyridinyl]methyl]-3-methoxyanilino]piperidine-1-carboxylate
CID 58603931
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356
N,N-diethyl-4-(3-methoxy-N-[(3R,4R)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 10717752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone (CID 22038362) is 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone is C=C(C)CN(c1cccc(OC)c1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
The InChIKey is SEBGQNKQIHMJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)13-20(17-6-5-7-18(12-17)22-4)16-8-10-19(11-9-16)15(3)21/h5-7,12,16H,1,8-11,13H2,2-4H3.
What are the key properties of 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone?
1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 22038362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).